Simcyp Publications and Independent Applications

Wyszogrodzka-Gaweł G, et al.
3D printing combined with biopredictive dissolution and PBPK/PD modeling optimization and personalization of pharmacotherapy: Are we there yet? Drug Discovery Today 28(10), 103731, October 2023.

Choi Y, et al.
Novel Therapeutic Modalities: The Future is Now. Clin Pharmacol Ther 114(3), 493-496, September 2023.

Abla N, et al.
Development and application of a PBPK modeling strategy to support antimalarial drug development. CPT Pharmacometrics Syst Pharmacol, August 2023.

Ali Daoud Y, et al.
Development of a physiologically based toxicokinetic model for lead in pregnant women: The role of bone tissue in the maternal and fetal internal exposure. Toxicol Appl Pharmacol 476, 116651, August 2023.

Berton M, et al.
Antiretroviral drug exposure and response in obese and morbidly obese people with HIV: a study combining modelling and Swiss HIV Cohort data. Clin Infect Dis, August 2023.

Cristofoletti R, et al.
Linking in vitro-in vivo extrapolations with physiologically based modeling to inform drug and formulation development. Biopharm Drug Dispos, August 2023.

Dancik Y, et al.
A novel physiologically based pharmacokinetic model of rectal absorption, evaluated and verified using clinical data on 10 rectally administered drugs. Int J Pharm 643, 123273, August 2023.

Gall L, et al.
A dynamic model of the intestinal epithelium integrates multiple sources of preclinical data and enables clinical translation of drug-induced toxicity. CPT Pharmacometrics Syst Pharmacol, August 2023.

Goelen J, et al.
Quantification of drug metabolising enzymes and transporter proteins in the paediatric duodenum via LC-MS/MS proteomics using a QconCAT technique. Eur J Pharm Biopharm, August 2023.

Johnson TN, et al.
Use of Developmental Midazolam and 1-Hydroxymidazolam Data with Pediatric Physiologically Based Modeling to Assess Cytochrome P450 3A4 and Uridine Diphosphate Glucuronosyl Transferase 2B4 Ontogeny In Vivo. Drug Metab Dispos 51(8), 1035-1045, August 2023.

Najjar A, et al.
Editorial: Advances in and applications of predictive toxicology: 2022. Front Pharmacol 14, 1257423, August 2023.

Small BG, et al.
Incorporation and performance verification of hepatic portal blood flow shunting in minimal and full PBPK models of liver cirrhosis. Clin Pharmacol Ther, August 2023.

Berton M, et al.
Impact of Obesity on the Drug-Drug Interaction Between Dolutegravir and Rifampicin or Any Other Strong Inducers. Open Forum Infect Dis 10(7), ofad361, July 2023.

Bettonte S, et al.
Intramuscular cabotegravir and rilpivirine concentrations after switching from efavirenz-containing regimen. Br J Clin Pharmacol, July 2023.

den Heijer JM, et al.
A Phase 1B Trial in GBA1-Associated Parkinson’s Disease of BIA-28-6156, a Glucocerebrosidase Activator. Mov Disord 38(7), 1197-1208, July 2023.

Harwood MD, et al.
Interlaboratory Variability in the Madin-Darby Canine Kidney Cell Proteome. Mol Pharm 20(7), 3505-3518, July 2023.

Johnson TN, et al.
Development and Verification of a Japanese Pediatric Physiologically Based Pharmacokinetic Model with Emphasis on Drugs Eliminated by Cytochrome P450 or Renal Excretion. J Clin Pharmacol, July 2023.

Matthews RJ, et al.
QSP Designer: Quantitative systems pharmacology modeling with modular biological process map notation and multiple language code generation. CPT Pharmacometrics Syst Pharmacol 12(7), 889-903, July 2023.

Mezler M, et al.
Analysis of the bile acid composition in a fibroblast growth factor 19-expressing liver-humanized mouse model and its use for CYP3A4-mediated drug-drug interaction studies. Drug Metab Dispos, July 2023.

Pan X, et al.
Physiologically Based Pharmacokinetic Modeling to Determine the Impact of CYP2B6 Genotype on Efavirenz Exposure in Children, Mothers and Breastfeeding Infants. Clin Pharmacol Ther 114(1), 182-191, July 2023.

Rowland Yeo K, et al.
Physiologically Based Pharmacokinetic Modelling to Predict Imatinib Exposures in Cancer Patients with Renal Dysfunction: A Case Study. Pharmaceutics 15(7), July 2023.

Zhou Z, et al.
Managing Drug-Drug Interactions in Older Adults. J Clin Pharmacol, July 2023.

Bergagnini-Kolev M, et al.
Evaluation of the Potential for Drug-Drug Interactions with Inhaled Itraconazole Using Physiologically Based Pharmacokinetic Modelling, Based on Phase 1 Clinical Data. AAPS J 25(4), 62, June 2023.

El-Khateeb E, et al.
Using Prior Knowledge on Systems Through PBPK to Gain Further Insight into Routine Clinical Data on Trough Concentrations: The Case of Tacrolimus in Chronic Kidney Disease. Ther Drug Monit, June 2023.

Otsuka Y, et al.
Physiologically-based pharmacokinetic modeling to predict drug-drug interaction of enzalutamide with combined P-gp and CYP3A substrates. J Pharmacokinet Pharmacodyn, June 2023.

Rajput AJ, et al.
In-depth analysis of patterns in selection of different physiologically based pharmacokinetic modeling tools: Part I – Applications and rationale behind the use of open source-code software. Biopharm Drug Dispos 44(3), 274-285, June 2023.

Salem F, et al.
Physiologically based pharmacokinetic modeling for development and applications of a virtual celiac disease population using felodipine as a model drug. CPT Pharmacometrics Syst Pharmacol 12(6), 808-820, June 2023.

van der Graaf PH
Clinical Significance of Therapeutic Peptide and Protein Drug Interactions: A Call to Action. Clin Pharmacol Ther 113(6), 1173-1174, June 2023.

Wisniowska B, et al.
Data on ADME parameters of bisphenol A and its metabolites for use in physiologically based pharmacokinetic modelling. Data Brief 48, 109101, June 2023.

Nauwelaerts N, et al.
Generic Workflow to Predict Medicine Concentrations in Human Milk Using Physiologically-Based Pharmacokinetic (PBPK) Modelling-A Contribution from the ConcePTION Project. Pharmaceutics 15(5), May 2023.

Tsakalozou E, et al.
Mechanistic modeling of drug products applied to the skin: A workshop summary report. CPT Pharmacometrics Syst Pharmacol 12(5), 575-584, May 2023.

Aldibani HKA, et al.
In-depth analysis of patterns in selection of different physiologically-based pharmacokinetic modeling tools: Part II – Assessment of model reusability and comparison between open and non-open source-code software. Biopharm Drug Dispos, April 2023.

Bettonte S, et al.
Management of Drug-Drug Interactions Between Long-Acting Cabotegravir and Rilpivirine and Comedications With Inducing Properties: A Modeling Study. Clin Infect Dis 76(7), 1225-1236, April 2023.

De Sutter PJ, et al.
Predictive Performance of Physiologically Based Pharmacokinetic Modelling of Beta-Lactam Antibiotic Concentrations in Adipose, Bone, and Muscle Tissues. Drug Metab Dispos 51(4), 499-508, April 2023.

El-Khateeb E, et al.
Evaluating the safety and efficacy of the leukotriene receptor antagonist montelukast as adjuvant therapy in obese patients with type 2 diabetes mellitus: A double-blind, randomized, placebo-controlled trial. Front Pharmacol 14, 1153653, April 2023.

Fu Y, et al.
Evaluation of a Cardiovascular Systems Model for Design and Analysis of Hemodynamic Safety Studies. Pharmaceutics 15(4), April 2023.

Geerts H, et al.
A combined physiologically-based pharmacokinetic and quantitative systems pharmacology model for modeling amyloid aggregation in Alzheimer’s disease. CPT Pharmacometrics Syst Pharmacol 12(4), 444-461, April 2023.

Hong E, et al.
Safety of elexacaftor/tezacaftor/ivacaftor dose reduction: Mechanistic exploration through physiologically based pharmacokinetic modeling and a clinical case series. Pharmacotherapy 43(4), 291-299, April 2023.

Mulford DJ, et al.
Tiered approach to evaluate the CYP3A victim and perpetrator drug-drug interaction potential for vonoprazan using PBPK modeling and clinical data to inform labeling. CPT Pharmacometrics Syst Pharmacol 12(4), 532-544, April 2023.

Quignot N, et al.
Healthcare Resource Utilization and Cost Burden of BCG-Treated Non-Muscle Invasive Bladder Cancer Patients in Germany: A Retrospective Claims Analysis. Clinicoecon Outcomes Res 15, 227-237, April 2023.

van der Graaf PH
Mush Room for Improving Therapeutic Approaches in Psychiatry. Clin Pharmacol Ther 113(4), 757-759, April 2023.

Barber J, et al.
Toward systems-informed models for biologics disposition: covariates of the abundance of the neonatal Fc Receptor (FcRn) in human tissues and implications for pharmacokinetic modelling. Eur J Pharm Sci 182, 106375, March 2023.

Bentley D, et al.
A randomized, double-blind, placebo-controlled, parallel group study on the effects of a cathepsin S inhibitor in primary Sjogren’s syndrome. Rheumatology (Oxford), March 2023.

Chung D, et al.
A Review of Quantitative Systems Pharmacology Models of the Coagulation Cascade: Opportunities for Improved Usability. Pharmaceutics 15(3), March 2023.

Lootens O, et al.
Building a Human Physiologically Based Pharmacokinetic Model for Aflatoxin B1 to Simulate Interactions with Drugs. Pharmaceutics 15(3), March 2023.

Mehta K, et al.
Predictions of Bedaquiline and Pretomanid Target Attainment in Lung Lesions of Tuberculosis Patients using Translational Minimal Physiologically Based Pharmacokinetic Modeling. Clin Pharmacokinet 62(3), 519-532, March 2023.

Small BG, et al.
Another Step Toward Qualification of Pediatric Physiologically Based Pharmacokinetic Models to Facilitate Inclusivity and Diversity in Pediatric Clinical Studies. Clin Pharmacol Ther 113(3), 735-745, March 2023.

Venkatakrishnan K, et al.
Diversity, Equity, and Inclusion: Translating Clinical Pharmacology for All. Clin Pharmacol Ther 113(3), 457-461, March 2023.

Aweda TA, et al.
In vivo biodistribution and pharmacokinetics of sotrovimab, a SARS-CoV-2 monoclonal antibody, in healthy cynomolgus monkeys. Eur J Nucl Med Mol Imaging 50(3), 667-678, February 2023.

Berton M, et al.
Physiologically Based Pharmacokinetic Modelling to Identify Physiological and Drug Parameters Driving Pharmacokinetics in Obese Individuals. Clin Pharmacokinet 62(2), 277-295, February 2023.

Murphy WA, et al.
Considerations for Physiologically Based Modeling in Liver Disease: From Nonalcoholic Fatty Liver (NAFL) to Nonalcoholic Steatohepatitis (NASH). Clin Pharmacol Ther ;113(2), 275-297, February 2023

Franssen LC, et al.
Learn-confirm in model-informed drug development: Assessing an immunogenicity quantitative systems pharmacology platform. CPT Pharmacometrics Syst Pharmacol 12(2), 139-143, February 2023.

Mostafa S, et al.
Delineating gene-environment effects using virtual twins of patients treated with clozapine. CPT Pharmacometrics Syst Pharmacol 12(2), 168-179, February 2023.

Murphy WA, et al.
Considerations for Physiologically Based Modeling in Liver Disease: From Nonalcoholic Fatty Liver (NAFL) to Nonalcoholic Steatohepatitis (NASH). Clin Pharmacol Ther 113(2), 275-297, February 2023.

Rowland Yeo K, et al.
PBPK modeling of ivermectin-Considerations for the purpose of developing alternative routes to optimize its safety profile. CPT Pharmacometrics Syst Pharmacol, February 2023.

Reddy VP, et al.
Pharmacokinetics under the COVID‐19 storm. British Journal of Clinical Pharmacology 89(1), 158-186, January 2023

Jardi F, et al.
Mouse organoids as an in vitro tool to study the in vivo intestinal response to cytotoxicants. Arch Toxicol 97(1), 235-254, January 2023.

Pilla Reddy V, et al.
Pharmacokinetics under the COVID-19 storm. Br J Clin Pharmacol 89(1), 158-186, January 2023.

Rowland G, et al.
Using a Network-Based Analysis Approach to Investigate the Involvement of S. aureus in the Pathogenesis of Granulomatosis with Polyangiitis. Int J Mol Sci 24(3), January 2023.

Wiśniowska B, et al.
Physiologically based modelling of dermal absorption and kinetics of consumer-relevant chemicals: A case study with exposure to bisphenol A from thermal paper. Toxicol Appl Pharmacol 459, 116357, January 2023.

Witkowski J, et al.
In Vitro/In Vivo Translation of Synergistic Combination of MDM2 and MEK Inhibitors in Melanoma Using PBPK/PD Modelling: Part III. Int J Mol Sci 24(3), January 2023.

Chen KF, et al.
PBPK perspective on alternative CYP3A4 inducers for rifampin. CPT Pharmacometrics Syst Pharmacol 11(12), 1543-1546, December 2022.

Clarke JF, et al.
A mechanistic physiologically based model to assess the effect of study design and modified physiology on formulation safe space for virtual bioequivalence of dermatological drug products. Frontiers in Pharmacology 13, 1007496, December 2022.

Jagdale P, et al.
Physiologically-based pharmacokinetic model for pulmonary disposition of protein therapeutics in humans. J Pharmacokinet Pharmacodyn 49(6), 607-624, December 2022.

Seo SK, et al.
How a Pandemic Simultaneously Strengthened Existing Fundamentals and Drove New Innovations in Clinical Pharmacology. Clin Pharmacol Ther 112(6), 1141-1144, December 2022.

Wiśniowska B, et al.
Utilization of mechanistic modelling and simulation to analyse fenspiride proarrhythmic potency – Role of physiological and other non-drug related parameters. J Clin Pharm Ther 47(12), 2152-2161, December 2022.

Mostafa S, et al.
Delineating gene-environment effects using virtual twins of patients treated with clozapine. CPT Pharmacometrics Syst Pharmacol, November 2022.

Achour B, et al.
Is Liquid Biopsy Only Restricted to Diagnostics or Can it Go Beyond the Confines of Genotyping and Phenotyping for Quantitative Pharmacology? Clinical Pharmacology & Therapeutics 112(6), 1152-1153, October 2022.

Alrubia S, et al.
Altered Bioavailability and Pharmacokinetics in Crohn’s Disease: Capturing Systems Parameters for PBPK to Assist with Predicting the Fate of Orally Administered Drugs. Clin Pharmacokinet 61(10), 1365-1392, October 2022.

Chen KF, et al.
PBPK modelling to predict drug-biologic interactions with cytokine modulators: Are these relevant and is IL-6 enough? Drug Metab Dispos 50(10), 1322-1331. October 2022

Gardner I, et al.
Non-specific binding of compounds in in vitro metabolism assays: A comparison of microsomal and hepatocyte binding in different species and an assessment of the accuracy of prediction models. Xenobiotica, 1-47, October 2022.

Sychterz C, et al.
Performance Verification of CYP2C19 Enzyme Abundance Polymorphism Settings within the Simcyp Simulator v21. Metabolites 12(10), October 2022.

Mittapelly N, et al.
Modelling and simulation approaches to support formulation optimization, clinical development and regulatory assessment of the topically applied formulations – Nimesulide solution gel case study. Eur J Pharm Biopharm 178, 140-149, September 2022.

Vasilogianni AM, et al.
Quantitative Proteomics of Hepatic Drug-Metabolizing Enzymes and Transporters in Patients With Colorectal Cancer Metastasis. Clin Pharmacol Ther 112 (3), 699-710, September 2022

Tan SPF, et al.
Effect of Chronic Kidney Disease on the Renal Secretion via Organic Anion Transporters 1/3: Implications for Physiologically-Based Pharmacokinetic Modeling and Dose Adjustment. Clin Pharmacol Ther 112 (3), 643-652, September 2022

Brouwer KLR, et al.
Regulation of Drug Transport Proteins-From Mechanisms to Clinical Impact: A White Paper on Behalf of the International Transporter Consortium. Clin Pharmacol Ther 112 (3), 461-484, September 2022

Chu X, et al.
Clinical Implications of Altered Drug Transporter Abundance/Function and PBPK Modeling in Specific Populations: An ITC Perspective. Clin Pharmacol Ther 112 (3), 501-526, September 2022

Taskar KS, et al.
Clinical Relevance of Hepatic and Renal P-gp/BCRP Inhibition of Drugs: An International Transporter Consortium Perspective. Clin Pharmacol Ther 112 (3), 573-592, September 2022

Kilford P, et al.
Physiologically-Based Pharmacokinetic Models of CYP2D6 Substrate and Inhibitors Nebivolol, Cinacalcet and Mirabegron to Simulate Drug-Drug Interactions. Eur J Drug Metab Pharmacokinet 47 (5), 699-710, September 2022

Patel N, et al.
Multi-phase multi-layer mechanistic dermal absorption (MPML MechDermA) model to predict local and systemic exposure of drug products applied on skin. CPT Pharmacometrics Syst Pharmacol 11 (8), 1060-1084, August 2022

Ahmed AN, et al.
Examining Physiologically Based Pharmacokinetic Model Assumptions for Cross-Tissue Similarity of Activity per Unit of Enzyme: The Case Example of Uridine 5’-Diphosphate Glucuronosyltransferase. Drug Metab Dispos 50 (8), 1119-1125, August 2022

Frechen S and A Rostami-Hodjegan
Quality Assurance of PBPK Modeling Platforms and Guidance on Building, Evaluating, Verifying and Applying PBPK Models Prudently under the Umbrella of Qualification: Why, When, What, How and By Whom? Pharm Res 39 (8), 1733-1748, August 2022

Salem F, et al.
Development and application of a pediatric mechanistic kidney model. CPT Pharmacometrics Syst Pharmacol 11 (7), 854-866, July 2022

Zhang M, et al.
Understanding Interindividual Variability in the Drug Interaction of a Highly Extracted CYP1A2 Substrate Tizanidine: Application of a Permeability-Limited Multicompartment Liver Model in a Population Based Physiologically Based Pharmacokinetic Framework. Drug Metab Dispos 50 (7), 957-967, July 2022

Arora S, et al.
A Mechanistic Absorption and Disposition Model of Ritonavir to Predict Exposure and Drug-Drug Interaction Potential of CYP3A4/5 and CYP2D6 Substrates. Eur J Drug Metab Pharmacokinet 47 (4), 483-495, July 2022

Vasilogianni AM, et al.
Proteomic quantification of perturbation to pharmacokinetic target proteins in liver disease. J Proteomics 263 104601, July 2022

Ezuruike U, et al.
Guide to development of compound files for PBPK modeling in the Simcyp population-based simulator. CPT Pharmacometrics Syst Pharmacol 11 (7), 805-821, July 2022

Kilford PJ, et al.
Prediction of CYP-mediated DDIs involving inhibition: Approaches to address the requirements for system qualification of the Simcyp Simulator. CPT Pharmacometrics Syst Pharmacol 11 (7), 822-832, July 2022

Gill KL and HM Jones
Opportunities and Challenges for PBPK Model of mAbs in Paediatrics and Pregnancy. AAPS J 24 (4), 72, June 2022

Achour B, et al.
Liquid Biopsy for Patient Characterization in Cardiovascular Disease: Verification against Markers of Cytochrome P450 and P-Glycoprotein Activities. Clin Pharmacol Ther 111 (6), 1268-1277, June 2022

Vasilogianni AM, et al.
A family of QconCATs (Quantification conCATemers) for the quantification of human pharmacological target proteins. J Proteomics 261 104572, June 2022

Barber J, et al.
Label-Free but Still Constrained: Assessment of Global Proteomic Strategies for the Quantification of Hepatic Enzymes and Transporters. Drug Metab Dispos 50 (6), 762-769, June 2022

Taggi V, et al.
Transporter Regulation in Critical Protective Barriers: Focus on Brain and Placenta. Pharmaceutics 14 (7), June 2022

Abduljalil K, et al.
Prediction of Maternal and Fetal Acyclovir, Emtricitabine, Lamivudine, and Metformin Concentrations during Pregnancy Using a Physiologically Based Pharmacokinetic Modeling Approach. Clin Pharmacokinet 61 (5), 725-748, May 2022

Abduljalil K, et al.
Application of a Physiologically Based Pharmacokinetic Approach to Predict Theophylline Pharmacokinetics Using Virtual Non-Pregnant, Pregnant, Fetal, Breast-Feeding, and Neonatal Populations. Front Pediatr 10 840710, May 2022

Harwood MD, et al.
Application of Physiologically Based Pharmacokinetic and Pharmacodynamic (PBPK/PD) Modeling Comprising Transporters: Delineating the Role of Various Factors in Drug Disposition and Toxicity. In: Drug Transporters: Molecular Characterization and Role in Drug Disposition 3rd edn. (eds. G. You, M. E. Morris and B. Wang) (Wiley, 2022)

Abduljalil K, et al.
Prediction of Maternal and Fetoplacental Concentrations of Cefazolin, Cefuroxime, and Amoxicillin during Pregnancy Using Bottom-Up Physiologically Based Pharmacokinetic Models. Drug Metab Dispos 50 (4), 386-400, April 2022

Patel N, et al.
Application of the Simcyp Population-Based PBPK Simulator to the Modelling of MR Formulations. In: Oral Drug Delivery for Modified Release Formulations (eds. E. S. Kostewicz, M. Vertzoni, H. A. Benson and M. S. Roberts) (Wiley, 2022)

Darwich AS, et al.
The interplay between drug release and intestinal gut-wall metabolism. In: Oral Drug Delivery for Modified Release Formulations (eds. E. S. Kostewicz, M. Vertzoni, H. A. Benson and M. S. Roberts) (Wiley, 2022)

Vasilogianni AM, et al.
Proteomics of colorectal cancer liver metastasis: A quantitative focus on drug elimination and pharmacodynamics effects. Br J Clin Pharmacol 88 (4), 1811-1823, February 2022

Michelet R, et al.
Insights in the maturational processes influencing hydrocortisone pharmacokinetics in congenital adrenal hyperplasia patients using a middle-out approach. Front Pharmacol 13, 1090554, January 2022.

Murata Y, et al.
In Vitro to In Vivo Extrapolation Linked to Physiologically Based Pharmacokinetic Models for Assessing the Brain Drug Disposition. AAPS J 24 (1), 28, January 2022

Bego M, et al.
Proof of Concept in Assignment of Within-Subject Variability During Virtual Bioequivalence Studies: Propagation of Intra-Subject Variation in Gastrointestinal Physiology Using Physiologically Based Pharmacokinetic Modeling. AAPS J 24 (1), 21, January 2022

Pan X, et al.
Unraveling pleiotropic effects of rifampicin by using physiologically based pharmacokinetic modeling: Assessing the induction magnitude of P-glycoprotein-cytochrome P450 3A4 dual substrates. CPT Pharmacometrics Syst Pharmacol 10 (12), 1485-1496, December 2021

Sibylle Neuhoff et al.
Application of proteomic data in the translation of in vitro observations to associated clinical outcomes. Drug Discovery Today 39, 13-22, December 2021

Rowland Yeo K and Berglund Eva
An Integrated Approach for Assessing the Impact of Renal Impairment on Pharmacokinetics of Drugs in Development: Pivotal Role of PBPK Modelling. Clinical Pharmacology and Therapeutics 110 (5), 1168-1171, November 2021

Humphries H, et al.
Development of physiologically-based pharmacokinetic models for standard of care and newer tuberculosis drugs. CPT Pharmacometrics Syst Pharmacol 10 (11), 1382-1395, November 2021

Lee J, et al.
Public Workshop Summary Report on Fiscal Year 2021 Generic Drug Regulatory Science Initiatives: Data Analysis and Model-Based Bioequivalence. Clin Pharmacol Ther 110 (5), 1190-1195, November 2021

Al-Majdoub ZM, et al.
Quantitative Proteomic Map of Enzymes and Transporters in the Human Kidney: Stepping Closer to Mechanistic Kidney Models to Define Local Kinetics. Clin Pharmacol Ther 110 (5), 1389-1400, November 2021

Giorgi M et al.
Application of quantitative systems pharmacology to guide the optimal dosing of COVID-19 vaccines. CPT Pharmacometrics and Systems Pharmacology 10 (10), 1130-1133, October 2021

Bonner J et al.
Development and verification of an endogenous PBPK model to inform hydrocortisone replacement dosing in children and adults with cortisol deficiency. European Journal of Pharmaceutical Sciences 165, 105913, October 2021

Johnson TN, et al.
A best practice framework for applying physiologically-based pharmacokinetic modeling to pediatric drug development. CPT Pharmacometrics and Systems Pharmacology 10 (9), 967-972, September 2021

Kharidia J, et al.
Evaluation of Drug-Drug Interaction Liability for Buprenorphine Extended-Release Monthly Injection Administered by Subcutaneous Route. Clinical Pharmacology in Drug Development 10 (9), 1064-1074, September 2021

El-Khateeb E, et al.
Review article: time to revisit Child-Pugh score as the basis for predicting drug clearance in hepatic impairment. Alimentary Pharmacology and Therapeutics 54 (4), 388-401, August 2021

Abduljalil K et al.
Prediction of drug concentrations in milk during breastfeeding, integrating predictive algorithms within a physiologically-based pharmacokinetic model. CPT Pharmacometrics and Systems Pharmacology 10 (8), 878-889, August 2021.

Chirumamilla SK et al.
Mechanistic PBPK Modelling to Predict the Advantage of the Salt Form of a Drug When Dosed with Acid Reducing Agents. Pharmaceutics 13 (8), 1169, July 2021

Areti-Maria V et al.
Hepatic Scaling Factors for In Vitro-In Vivo Extrapolation of Metabolic Drug Clearance in Patients with Colorectal Cancer with Liver Metastasis. Drug Metabolism and Disposition 49 (7), 563-571, May 2021

Abduljalil K, et al.
Fetal Physiologically Based Pharmacokinetic Models: Systems Information on Fetal Cardiac Output and Its Distribution to Different Organs during Development. Clinical Pharmacokinetics 60 (6), 741-757, June 2021

Annie Delaunois et al.
Applying the CiPA approach to evaluate cardiac proarrhythmia risk of some antimalarials used off-label in the first wave of COVID-19. Clin Transl Sci. 14 (3), 1133-1146, 2021 May

Segregur D, et al.
Evaluating the impact of acid-reducing agents on drug absorption using biorelevant in vitro tools and PBPK modeling – case example dipyridamole. European Journal of Pharmaceutical Sciences 160, 105750, May 2021

Rostami-Hodjegan A and Bois F
Opening a debate on open-source modeling tools: Pouring fuel on fire versus extinguishing the flare of a healthy debate. CPT Pharmacometrics and Systems Pharmacology 10(5), 420-427, May 2021

Delaunois A, et al.
Applying the CiPA approach to evaluate cardiac proarrhythmia risk of some antimalarials used off label in the first wave of COVID -19. Clinical and Translational Science 14 (3), 1133-1146, May 2021

Ahmad A, et al.
Population pharmacokinetic modeling and simulation to support qualification of pyridoxic acid as endogenous biomarker of OAT1/3 renal transporters. CPT Pharmacometrics and Systems Pharmacology 10(5), 467-477, May 2021

Fang W, et al.
Scientific considerations to move towards biowaiver for biopharmaceutical classification system class III drugs: How modeling and simulation can help. Biopharmaceutics and Drug Disposition 42(4), 118-127, April 2021

Siméon S, et al.
Multistate models of developmental toxicity: Application to valproic acid-induced malformations in the zebrafish embryo. Toxicology and Applied Pharmacology 414, 115424, March 2021

Daali Y, et al.
Editorial: Precision Medicine: Impact of Cytochromes P450 and Transporters Genetic Polymorphisms, Drug-Drug Interactions, Disease on Safety and Efficacy of Drugs. Front Pharmacol 12 834717, January 2021

Rowland Yeo K and Venkatakrishnan K
Physiologically-Based Pharmacokinetic Models as Enablers of Precision Dosing in Drug Development: Pivotal Role of the Human Mass Balance Study. Clinical Pharmacology and Therapeutics 109 (1), 51-54, January 2021

Couto N, et al.
Label-Free Quantitative Proteomics and Substrate-Based Mass Spectrometry Imaging of Xenobiotic Metabolizing Enzymes in Ex Vivo Human Skin and a Human Living Skin Equivalent Model. Drug Metabolism and Disposition 49 (1), 39-52, January 2021

Achour B, et al
Liquid Biopsy Enables Quantification of the Abundance and Interindividual Variability of Hepatic Enzymes and Transporters. Clinical Pharmacology and Therapeutics 109 (1), 222-232, January 2021

Darwich A, et al.
Model-Informed Precision Dosing: Background, Requirements, Validation, Implementation, and Forward Trajectory of Individualizing Drug Therapy. Annual Review of Pharmacology and Toxicology 61, 225-245, January 2021

Paraisoa RLM, et al.
The use of PBPK/PD to establish clinically relevant dissolution specifications for zolpidem immediate release tablets. European Journal of Pharmaceutical Sciences 155, 105534, December 2020

El‐Khateeb E, et al.
Physiological‐based pharmacokinetic modeling trends in pharmaceutical drug development over the last 20‐years; in-depth analysis of applications, organizations, and platforms. Biopharmaceutics and Drug Disposition 42 (4), 107-117, December 2020

Al-Majdoub Z, et al.
Mass spectrometry-based abundance atlas of ABC transporters in human liver, gut, kidney, brain and skin. FEBS Letters 594 (23), 4134-4150, December 2020

Ahmad A, et al.
IMI – Oral biopharmaceutics tools project – Evaluation of bottom-up PBPK prediction success part 4: Prediction accuracy and software comparisons with improved data and modelling strategies. European Journal of Pharmaceutics and Biopharmaceutics 156, 50-63, November 2020

Loisios-Konstantinidis I, et al.
Physiologically Based Pharmacokinetic/Pharmacodynamic Modeling to Predict the Impact of CYP2C9 Genetic Polymorphisms, Co-Medication and Formulation on the Pharmacokinetics and Pharmacodynamics of Flurbiprofen. Pharmaceutics 12 (11), 1049, November 2020

Takita H, et al.
Application of the Nested Enzyme-Within-Enterocyte (NEWE) Turnover Model for Predicting the Time Course of Pharmacodynamic Effects. CPT Pharmacometrics and Systems Pharmacology 9 (11), 617-627, November 2020

Rostami-Hodjegan A and S Toon
PBPK as a Component of Model-Informed Drug Development: Where We Were, Where We Are, and Where We Are Heading. The Journal of Clinical Pharmacology 60 (S1), S12-S16, November 2020

De Sousa Mendes M, et al.
A laboratory specific scaling factor to predict the in vivo human clearance of aldehyde oxidase substrates. Drug Metabolism and Disposition 48 (11), 1231-1238, November 2020

Elmorsi Y, et al.
Proteomic characterisation of drug metabolising enzymes and drug transporters in pig liver. Xenobiotica 50 (10), 1208-1219, October 2020

Al-Majdoub Z, et al.
Quantification of Proteins Involved in Intestinal Epithelial Handling of Xenobiotics. Clinical Pharmacology and Therapeutics 109 (4), 1136-1146, October 2020

Jamei M, et al.
Current status and future opportunities for incorporation of dissolution data in pbpk modeling for pharmaceutical development and regulatory applications: orbito consortium commentary. European Journal of Pharmaceutics and Biopharmaceutics 155, 55-68, October 2020

El-Khateeb E, et al.
Scaling Factors for Clearance in Adult Liver Cirrhosis. Drug Metabolism and Disposition 48 (12), 1271-1282, September 2020

Puttrevu S, et al.
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Prediction of Moxifloxacin Concentrations in Tuberculosis Patient Populations by Physiologically Based Pharmacokinetic Modeling. Journal of Clinical Pharmacology 62 (3), 385-396, September 2021

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Developing a physiologically based pharmacokinetic model of apixaban to predict scenarios of drug-drug interactions, renal impairment and pediatric populations. British Journal of Clinical Pharmacology, 87 (8), 3244-3254, August 2021

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A physiologically based pharmacokinetic/pharmacodynamic modeling approach for drug-drug interaction evaluation of warfarin enantiomers with sorafenib. Drug Metabolism and Pharmacokinetics 39, 100362, August 2021

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Development and Qualification of a Physiologically Based Pharmacokinetic Model of Finasteride and Minoxidil Following Scalp Application. Journal of Pharmaceutical Sciences 110 (5), 2301-2310, May 2021

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Physiologically based pharmacokinetic modeling of altered tizanidine systemic exposure by CYP1A2 modulation: Impact of drug-drug interactions and cigarette consumption. Drug Metabolism and Pharmacokinetics 37, 100375, April 2021

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Simulation of oral absorption from non-bioequivalent dosage forms of the salt of raltegravir, a poorly soluble acidic drug, using a physiologically based biopharmaceutical modeling (PBBM) approach. European Journal of Pharmaceutical Sciences 157, 105630, February 2021

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Model-Informed Pediatric Dose Selection for Dapagliflozin by Incorporating Developmental Changes. CPT Pharmacometrics Syst Pharmacol 10 (2), 108-118, February 2021

Effinger A, et al.
Predicting budesonide performance in healthy subjects and patients with Crohn’s disease using biorelevant in vitro dissolution testing and PBPK modeling. European Journal of Pharmaceutical Sciences 157, 105617, February 2021

Callegari E, et al.
Physiologically-Based Pharmacokinetic Modeling of the Drug-Drug Interaction of the UGT Substrate Ertugliflozin Following Co-Administration with the UGT Inhibitor Mefenamic Acid. CPT Pharmacometrics Syst Pharmacol 10 (2), 127-136, February 2021

Bowman CM, et al.
Examination of Physiologically-Based Pharmacokinetic Models of Rosuvastatin. CPT Pharmacometrics Syst Pharmacol 10 (1), 5-17, January 2021

Chae YJ, et al.
Pharmacokinetic Estimation Models-based Approach to Predict Clinical Implications for CYP Induction by Calcitriol in Human Cryopreserved Hepatocytes and HepaRG Cells. Pharmaceutics 13 (2), 181, January 2021

Cui C, et al.
Physiologically based pharmacokinetic model of renally cleared antibacterial drugs in Chinese renal impairment patients. Biopharmaceutics and Drug Disposition 42 (1), 24-34, January 2021

Krogstad V, et al.
Correlation of Body Weight and Composition With Hepatic Activities of Cytochrome P450 Enzymes. Journal of Pharmaceutical Sciences 110 (1), 432-437, January 2021

Lingineni K, et al.
Quantitative Benefit-Risk Assessment of P-gp-Mediated Drug-Drug Interactions of Dabigatran Coadministered With Pharmacokinetic Enhancers in Patients With Renal Impairment. Clinical Pharmacology and Therapeutics 109 (1), 193-200, January 2021

Riddell K, et al.
An Adaptive Physiologically Based Pharmacokinetic-Driven Design to Investigate the Effect of Itraconazole and Rifampicin on the Pharmacokinetics of Molibresib (GSK525762) in Healthy Female Volunteers. Journal of Clinical Pharmacology 61 (1), 125-137, January 2021

Pepin XJH, et al.
Understanding Mechanisms of Food Effect and Developing Reliable PBPK Models Using a Middle-out Approach. AAPS J 23 (1), 12, January 2021

Le Merdy M, et al.
Physiologically Based Pharmacokinetic Modeling Approach to Identify the Drug-Drug Interaction Mechanism of Nifedipine and a Proton Pump Inhibitor, Omeprazole. European Journal of Drug Metabolism and Pharmacokinetics 46 (1), 41-51, January 2021

Higashimori M, et al.
Physiologically Based Pharmacokinetic Modelling of Glycopyrronium in Patients With Renal Impairment. Journal of Pharmaceutical Sciences 110 (1), 438-445, January 2021

Fouad SA, et al.
Preparation of solid dispersion systems for enhanced dissolution of poorly water soluble diacerein: In-vitro evaluation, optimization and physiologically based pharmacokinetic modeling. PloS One 16 (1), e0245482, January 2021

Badaoui S, et al.
Application of Model Informed Precision Dosing to Address the Impact of Pregnancy Stage and CYP2D6 Phenotype on Foetal Morphine Exposure. AAPS J 23 (1), 15, January 2021

Agyemang A, et al.
A Physiologically Based Pharmacokinetic Model to Predict Potential Drug-Drug Interactions and Inform Dosing of Acumapimod, an Oral p38 MAPK Inhibitor. CPT Pharmacometrics Syst Pharmacol 10 (1), 30-39, January 2021

Kayesh R, et al.
Assessing OATP1B1- and OATP1B3-Mediated Drug-Drug Interaction Potential of Vemurafenib Using R-Value and Physiologically-Based Pharmacokinetic Models. Journal of Pharmaceutical Sciences 110 (1), 314-324, January 2021

Tse S, et al.
Application of Physiologically Based Pharmacokinetic Modeling to Predict Drug Exposure and Support Dosing Recommendations for Potential Drug-Drug Interactions or in Special Populations: An Example Using Tofacitinib. Journal of Clinical Pharmacology 60 (12), 1617-1628, December 2020

Yu Y, et al.
Palbociclib (PD-0332991) pharmacokinetics in subjects with impaired renal function. Cancer Chemotherapy and Pharmacology 86 (6), 701-710, December 2020

Tsai A, et al.
Physiologically Based Pharmacokinetic Modeling of CFTR Modulation in People with Cystic Fibrosis Transitioning from Mono or Dual Regimens to Triple-Combination Elexacaftor/Tezacaftor/Ivacaftor. Pulm Ther 6 (2), 275-286, December 2020

Thakur A, et al.
Physiologically-Based Pharmacokinetic Modeling to Predict the Clinical Efficacy of the Coadministration of Lopinavir and Ritonavir against SARS-CoV-2. Clinical Pharmacology and Therapeutics 108 (6), 1176-1184, December 2020

Sane R, et al.
Calibrating the In Vitro-In Vivo Correlation for OATP-Mediated Drug-Drug Interactions with Rosuvastatin Using Static and PBPK Models. Drug Metabolism and Disposition 48 (12), 1264-1270, December 2020

Paraiso RLM, et al.
The use of PBPK/PD to establish clinically relevant dissolution specifications for zolpidem immediate release tablets. European Journal of Pharmaceutical Sciences 155, 105534, December 2020

Liang X, et al.
In Vitro Hepatic Uptake in Human and Monkey Hepatocytes in the Presence and Absence of Serum Protein and Its In Vitro to In Vivo Extrapolation. Drug Metabolism and Disposition 48 (12), 1283-1292, December 2020

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Contribution of Uptake and Efflux Transporters to Oral Pharmacokinetics of Furosemide. ACS Omega 5 (51), 32939-32950, December 2020

Liu S, et al.
Predicting the Effects of CYP2C19 and Carboxylesterases on Vicagrel, a Novel P2Y12 Antagonist, by Physiologically Based Pharmacokinetic/Pharmacodynamic Modeling Approach. Frontiers in Pharmacology 11, 591854, December 2020

Cicali B, et al.
Assessing the impact of cystic fibrosis on the antipyretic response of ibuprofen in children: Physiologically-based modeling as a candle in the dark. British Journal of Clinical Pharmacology 86 (11), 2247-2255, November 2020

Otsuka Y, et al.
Physiologically-Based Pharmacokinetic Modeling for the Prediction of a Drug-Drug Interaction of Combined Effects on P-glycoprotein and Cytochrome P450 3A. CPT Pharmacometrics Syst Pharmacol 9 (11), 659-669, November 2020

Li N, et al.
Albumin-Mediated Uptake Improves Human Clearance Prediction for Hepatic Uptake Transporter Substrates Aiding a Mechanistic In Vitro-In Vivo Extrapolation (IVIVE) Strategy in Discovery Research. AAPS J 23 (1), 1, November 2020

Mori-Anai K, et al.
Mechanistic evaluation of the effect of sodium-dependent glucose transporter 2 inhibitors on delayed glucose absorption in patients with type 2 diabetes mellitus using a quantitative systems pharmacology model of human systemic glucose dynamics. Biopharmaceutics and Drug Disposition 41 (8-9), 352-366, November 2020

Prakash C, et al.
Physiologically based pharmacokinetic modeling and simulation to predict drug-drug interactions of ivosidenib with CYP3A perpetrators in patients with acute myeloid leukemia. Cancer Chemotherapy and Pharmacology 86 (5), 619-632, November 2020

Cristea S, et al.
The Predictive Value of Glomerular Filtration Rate-Based Scaling of Pediatric Clearance and Doses for Drugs Eliminated by Glomerular Filtration with Varying Protein-Binding Properties. Clinical Pharmacokinetics 59 (10), 1291-1301, October 2020

Franchetti Y, et al.
Dose Optimization in Kidney Disease: Opportunities for PBPK Modeling and Simulation. Journal of Clinical Pharmacology 60 Suppl 1, S36-S51, October 2020

Lang J, et al.
Simultaneous Ivabradine Parent-Metabolite PBPK/PD Modelling Using a Bayesian Estimation Method. AAPS J 22 (6), 129, October 2020

Adiwidjaja J, et al.
Potential for pharmacokinetic interactions between Schisandra sphenanthera and bosutinib, but not imatinib: in vitro metabolism study combined with a physiologically-based pharmacokinetic modelling approach. British Journal of Clinical Pharmacology 86 (10), 2080-2094, October 2020

Dennison TJ, et al.
Formulation and Bioequivalence Testing of Fixed-Dose Combination Orally Disintegrating Tablets for the Treatment of Tuberculosis in the Paediatric Population. Journal of Pharmaceutical Sciences 109 (10), 3105-3113, October 2020

Punt A, et al.
New approach methodologies (NAMs) for human-relevant biokinetics predictions: Meeting the paradigm shift in toxicology towards an animal-free chemical risk assessment. ALTEX 37 (4), 607-622, October 2020

Jaminion F, et al.
PKPD and cardiac single cell modeling of a DDI study with a CYP3A4 substrate and itraconazole to quantify the effects on QT interval duration. Journal of Pharmacokinetics and Pharmacodynamics 47 (5), 447-459, October 2020

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Considerations in the extrapolation of drug toxicity between humans and dogs. Current Opinion in Toxicology 23-24, 98-105, October-December 2020

Samineni D, et al.
Physiologically Based Pharmacokinetic Model-Informed Drug Development for Polatuzumab Vedotin: Label for Drug-Drug Interactions Without Dedicated Clinical Trials. Journal of Clinical Pharmacology 60 Suppl 1, S120-S131, October 2020

Shen M, et al.
Pain Chemogenomics Knowledgebase (Pain-CKB) for Systems Pharmacology Target Mapping and Physiologically Based Pharmacokinetic Modeling Investigation of Opioid Drug-Drug Interactions. ACS Chemical Neuroscience 11 (20), 3245-3258, October 2020

Wu F, et al.
Physiologically based pharmacokinetic modeling to assess metabolic drug-drug interaction risks and inform the drug label for fedratinib. Cancer Chemotherapy and Pharmacology 86 (4), 461-473, October 2020

Chaphekar N, et al.
Model-Informed Dose Optimization in Pregnancy. Journal of Clinical Pharmacology 60 Suppl 1, S63-S76, October 2020

Dolton MJ, et al.
A Physiologically Based Pharmacokinetic Model of Vismodegib: Deconvoluting the Impact of Saturable Plasma Protein Binding, pH-Dependent Solubility and Nonsink Permeation. AAPS J 22 (5), 117, September 2020

Eke AC and Gebreyohannes RD
Physiologically based pharmacokinetic modeling (PBPK’s) prediction potential in clinical pharmacology decision making during pregnancy. International Journal of Gynaecology and Obstetrics 150 (3), 414-416, September 2020

Samant TS, et al.
Ribociclib Drug-Drug Interactions: Clinical Evaluations and Physiologically-Based Pharmacokinetic Modeling to Guide Drug Labeling. Clinical Pharmacology and Therapeutics 108 (3), 575-585, September 2020

Riedmaier AE, et al.
Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J 22 (6), 123, September 2020

Van den Bergh A, et al.
Pharmacokinetic Drug-Drug Interaction of Apalutamide, Part 2: Investigating Interaction Potential Using a Physiologically Based Pharmacokinetic Model. Clinical Pharmacokinetics 59 (9), 1149-1160, September 2020

Xiao J, et al.
Biliary Excretion-Mediated Food Effects and Prediction. AAPS J 22(6), 124, Sep 2020

Ahmad A, et al.
IMI – Oral biopharmaceutics tools project – Evaluation of bottom-up PBPK prediction success part 4: Prediction accuracy and software comparisons with improved data and modelling strategies. European Journal of Pharmaceutics and Biopharmaceutics 156, 50-63, August 2020

Almurjan A, et al.
Precision dosing-based optimisation of paroxetine during pregnancy for poor and ultrarapid CYP2D6 metabolisers: a virtual clinical trial pharmacokinetics study. Journal of Pharmacy and Pharmacology 72 (8), 1049-1060, August 2020

Ammar HO, et al.
Ethosome-Derived Invasomes as a Potential Transdermal Delivery System for Vardenafil Hydrochloride: Development, Optimization and Application of Physiologically Based Pharmacokinetic Modeling in Adults and Geriatrics. Int J Nanomedicine 15, 5671-5685, August 2020

Chen F, et al.
Evaluation of the Impacts of Formulation Parameters on the Pharmacokinetics and Bioequivalence of Risperidone Orodispersible Film: a Physiologically Based Pharmacokinetic Modeling Approach. AAPS PharmSciTech 21 (7), 245, August 2020

Dong Z, et al.
Application of Physiologically-Based Pharmacokinetic Modeling to Predict Gastric pH-Dependent Drug-Drug Interactions for Weak Base Drugs. CPT Pharmacometrics Syst Pharmacol 9 (8), 456-465, August 2020

Fiolka T, et al.
Biorelevant Two-Stage In Vitro Testing for rDCS Classification and in PBPK Modeling-Case Example Ritonavir. Journal of Pharmaceutical Sciences 109 (8), 2512-2526, August 2020

Klumpp L and J Dressman
Physiologically based pharmacokinetic model outputs depend on dissolution data and their input: Case examples glibenclamide and dipyridamole. European Journal of Pharmaceutical Sciences 151 105380, August 2020

Loisios-Konstantinidis I, et al.
Using Physiologically Based Pharmacokinetic Modeling to Assess the Risks of Failing Bioequivalence Criteria: a Tale of Two Ibuprofen Products. AAPS J 22 (5), 113, August 2020

Radeva-Ilieva MP, et al.
Protective Effect of Methylxanthine Fractions Isolated from Bancha Tea Leaves against Doxorubicin-Induced Cardio- and Nephrotoxicities in Rats. Biomed Res Int 2020, 4018412, August 2020

Schuck E, et al.
Changes in perampanel levels during de-induction: Simulations following carbamazepine discontinuation. Acta Neurologica Scandinavica 142 (2), 131-138, August 2020

Shi M, et al.
Integrating in vitro data and physiologically based kinetic modeling-facilitated reverse dosimetry to predict human cardiotoxicity of methadone. Archives of Toxicology 94 (8), 2809-2827, August 2020

Tomita Y, et al.
Prediction methods of drug-drug interactions of non-oral CYP3A4 substrates based on clinical interaction data after oral administrations – Validation with midazolam, alfentanil, and verapamil after intravenous administration and prediction for blonanserin transdermal patch. Drug Metabolism and Pharmacokinetics 35 (4), 345-353, August 2020

Rasool MF, et al.
Investigating the Role of Altered Systemic Albumin Concentration on the Disposition of Theophylline in Adult and Pediatric Patients with Asthma by Using the Physiologically Based Pharmacokinetic Approach. Drug Metabolism and Disposition: The Biological Fate of Chemicals 48 (7), 570-579, July 2020

Achour B, et al.
Mass Spectrometry of Human Transporters. Annual Review of Analytical Chemistry (Palo Alto, Calif.) 13 (1), 223-247, June 2020

Adiwidjaja J, et al.
Physiologically-Based Pharmacokinetic Predictions of the Effect of Curcumin on Metabolism of Imatinib and Bosutinib: In Vitro and In Vivo Disconnect. Pharmaceutical Research 37 (7), 128, June 2020

Chen W, et al.
The underlying mechanisms of lorlatinib penetration across the blood-brain barrier and the distribution characteristics of lorlatinib in the brain. Cancer Med 9 (12), 4350-4359, June 2020

Chen Y, et al.
Physiologically-Based Pharmacokinetic Model-Informed Drug Development for Fenebrutinib: Understanding Complex Drug-Drug Interactions. CPT Pharmacometrics Syst Pharmacol 9 (6), 332-341, June 2020

Cristea S, et al.
The Influence of Drug Properties and Ontogeny of Transporters on Pediatric Renal Clearance through Glomerular Filtration and Active Secretion: a Simulation-Based Study. AAPS J 22 (4), 87, June 2020

Doki K, et al.
Utilizing physiologically based pharmacokinetic modeling to predict theoretically conceivable extreme elevation of serum flecainide concentration in an anuric hemodialysis patient with cirrhosis. European Journal of Clinical Pharmacology 76 (6), 821-831, June 2020

Freriksen JJM, et al.
Assessment of Maternal and Fetal Dolutegravir Exposure by Integrating Ex Vivo Placental Perfusion Data and Physiologically-Based Pharmacokinetic Modeling. Clinical Pharmacology and Therapeutics 107 (6), 1352-1361, June 2020

Song L, et al.
Preliminary physiologically based pharmacokinetic modeling of renally cleared drugs in Chinese pregnant women. Biopharmaceutics and Drug Disposition 41 (6), 248-267, June 2020

Badhan RKS and H Macfarlane
Quetiapine dose optimisation during gestation: a pharmacokinetic modelling study. Journal of Pharmacy and Pharmacology 72 (5), 670-681, May 2020

Chiney MS, et al.
Quantitative Assessment of Elagolix Enzyme-Transporter Interplay and Drug-Drug Interactions Using Physiologically Based Pharmacokinetic Modeling. Clinical Pharmacokinetics 59 (5), 617-627, May 2020

Ito K, et al.
Hepatic Transporter Alterations by Nuclear Receptor Agonist T0901317 in Sandwich-Cultured Human Hepatocytes: Proteomic Analysis and PBPK Modeling to Evaluate Drug-Drug Interaction Risk. Journal of Pharmacology and Experimental Therapeutics 373 (2), 261-268, May 2020

Smits A, et al.
A Physiology-Based Pharmacokinetic Framework to Support Drug Development and Dose Precision During Therapeutic Hypothermia in Neonates. Frontiers in Pharmacology 11 587, May 2020

Vildhede A, et al.
Quantitative Proteomics and Mechanistic Modeling of Transporter-Mediated Disposition in Nonalcoholic Fatty Liver Disease. Clinical Pharmacology and Therapeutics 107 (5), 1128-1137, May 2020

Antonescu IE, et al.
Acamprosate Is a Substrate of the Human Organic Anion Transporter (OAT) 1 without OAT3 Inhibitory Properties: Implications for Renal Acamprosate Secretion and Drug-Drug Interactions. Pharmaceutics 12 (4), April 2020

Combes FP, et al.
Model-Informed Drug Development for Everolimus Dosing Selection in Pediatric Infant Patients. CPT Pharmacometrics Syst Pharmacol 9 (4), 230-237, April 2020

Ghoneim AM and SM Mansour
The Effect of Liver and Kidney Disease on the Pharmacokinetics of Clozapine and Sildenafil: A Physiologically Based Pharmacokinetic Modeling. Drug Design, Development and Therapy 14 1469-1479, April 2020

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Biopredictive in vitro testing methods to assess intestinal drug absorption from supersaturating dosage forms. Journal of Drug Delivery Science and Technology 56 (Part B), 101275, April 2020

Iwasaki S, et al.
A Translational Physiologically Based Pharmacokinetics/Pharmacodynamics Framework of Target-Mediated Disposition, Target Inhibition and Drug-Drug Interactions of Bortezomib. AAPS J 22 (3), 66, April 2020

McPhail BT, et al.
Utilizing Pediatric Physiologically Based Pharmacokinetic Models to Examine Factors That Contribute to Methadone Pharmacokinetic Variability in Neonatal Abstinence Syndrome Patients. Journal of Clinical Pharmacology 60 (4), 453-465, April 2020

Notsu Y, et al.
Simple pharmacokinetic models accounting for drug monitoring results of atomoxetine and its 4-hydroxylated metabolites in Japanese pediatric patients genotyped for cytochrome P450 2D6. Drug Metabolism and Pharmacokinetics 35 (2), 191-200, April 2020

Patel A, et al.
Drug Interactions for Low-Dose Inhaled Nemiralisib: A Case Study Integrating Modeling, In Vitro, and Clinical Investigations. Drug Metabolism and Disposition: The Biological Fate of Chemicals 48 (4), 307-316, April 2020

Wu X, et al.
Physiologically Based Pharmacokinetic Approach Can Successfully Predict Pharmacokinetics of Citalopram in Different Patient Populations. Journal of Clinical Pharmacology 60 (4), 477-488, April 2020

Auvin S, et al.
Radiprodil, a NR2B negative allosteric modulator, from bench to bedside in infantile spasm syndrome. Ann Clin Transl Neurol 7 (3), 343-352, March 2020

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Combining biorelevant in vitro and in silico tools to investigate the in vivo performance of the amorphous solid dispersion formulation of etravirine in the fed state. European Journal of Pharmaceutical Sciences 149, 105297, March 2020

Louisse J, et al.
Towards harmonization of test methods for in vitro hepatic clearance studies. Toxicology In Vitro 63 104722, March 2020

Matsumura N, et al.
Prediction Characteristics of Oral Absorption Simulation Software Evaluated Using Structurally Diverse Low-Solubility Drugs. Journal of Pharmaceutical Sciences 109 (3), 1403-1416, March 2020

O’Dwyer PJ, et al.
On the Usefulness of Two Small-Scale In Vitro Setups in the Evaluation of Luminal Precipitation of Lipophilic Weak Bases in Early Formulation Development. Pharmaceutics 12 (3), March 2020

Li J, et al.
Impact of hepatic and renal impairment on the pharmacokinetics and tolerability of eliglustat therapy for Gaucher disease type 1. Molecular Genetics and Metabolism 129 (2), 117-124, February 2020

Zhang M, et al.
Development of a Physiologically Based Pharmacokinetic Model for Hydroxychloroquine and Its Application in Dose Optimization in Specific COVID-19 Patients. Frontiers in Pharmacology 11, 585021, February 2020

Loisios-Konstantinidis I, et al.
Establishing virtual bioequivalence and clinically relevant specifications using in vitro biorelevant dissolution testing and physiologically-based population pharmacokinetic modeling. case example: Naproxen. European Journal of Pharmaceutical Sciences 143, 105170, February 2020

Oggianu L, et al.
Estimation of an Appropriate Dose of Trazodone for Pediatric Insomnia and the Potential for a Trazodone-Atomoxetine Interaction. CPT Pharmacometrics Syst Pharmacol 9 (2), 77-86, February 2020

Charman SA, et al.
An in vitro toolbox to accelerate anti-malarial drug discovery and development. Malaria Journal 19 (1), 1, January 2020

Guo Y, et al.
Quantitative Prediction of CYP3A4- and CYP3A5-Mediated Drug Interactions. Clinical Pharmacology and Therapeutics 107 (1), 246-256, January 2020

Higashimori M, et al.
Physiologically based pharmacokinetic modeling to predict exposures in healthy Japanese subjects with different CYP2C19 phenotypes: Esomeprazole case study. International Journal of Clinical Pharmacology and Therapeutics 58 (1), 29-36, January 2020

Huang W and N Isoherranen
Sampling Site Has a Critical Impact on Physiologically Based Pharmacokinetic Modeling. Journal of Pharmacology and Experimental Therapeutics 372 (1), 30-45, January 2020

Krogstad V, et al.
A Comparative Analysis of Cytochrome P450 Activities in Paired Liver and Small Intestinal Samples from Patients with Obesity. Drug Metabolism and Disposition 48 (1), 8-17, January 2020

Liu SN, et al.
Probenecid-Boosted Tenofovir: A Physiologically-Based Pharmacokinetic Model-Informed Strategy for On-Demand HIV Preexposure Prophylaxis. CPT Pharmacometrics Syst Pharmacol 9 (1), 40-47, January 2020

Yu Y, et al.
Physiologically Based Pharmacokinetic Modeling and Simulation of Sunitinib in Pediatrics. AAPS J 22 (2), 31, January 2020

Cristofoletti R, et al.
Integrating Drug- and Formulation-Related Properties With Gastrointestinal Tract Variability Using a Product-Specific Particle Size Approach: Case Example Ibuprofen. Journal of Pharmaceutical Sciences 108 (12), 3842-3847, December 2019.

Escher SE, et al.
Towards grouping concepts based on new approach methodologies in chemical hazard assessment: the read-across approach of the EU-ToxRisk project. Archives of Toxicology 93 (12), 3643-3667, December 2019.

Yamamoto K, et al.
Pharmacokinetic assessment of alprazolam-induced neonatal abstinence syndrome using physiologically based pharmacokinetic model. Drug Metabolism and Pharmacokinetics 34 (6), 400-402, December 2019.

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The Permeation of Acamprosate Is Predominantly Caused by Paracellular Diffusion across Caco-2 Cell Monolayers: A Paracellular Modeling Approach. Molecular Pharmaceutics 16 (11), 4636-4650, November 2019.

Cheong EJY, et al.
Systematic Development and Verification of a Physiologically Based Pharmacokinetic Model of Rivaroxaban. Drug Metabolism and Disposition 47 (11), 1291-1306, November 2019.

Gardin A, et al.
Siponimod pharmacokinetics, safety, and tolerability in combination with the potent CYP3A4 inhibitor itraconazole in healthy subjects with different CYP2C9 genotypes. European Journal of Clinical Pharmacology 75 (11), 1565-1574, November 2019.

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Evaluation of the Effect of CYP2D6 Genotypes on Tramadol and O-Desmethyltramadol Pharmacokinetic Profiles in a Korean Population Using Physiologically-Based Pharmacokinetic Modeling. Pharmaceutics 11 (11), 618, November 2019.

Li S, et al.
Prediction of pharmacokinetic drug-drug interactions causing atorvastatin-induced rhabdomyolysis using physiologically based pharmacokinetic modelling. Biomedicine and Pharmacotherapy 119, 109416, November 2019.

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Adult and infant pharmacokinetic profiling of dihydrocodeine using physiologically based pharmacokinetic modeling. Biopharmaceutics and Drug Disposition 40 (9), 350-357, November 2019.

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In-vitro-in-silico investigation of the negative food effect of zolpidem when administered as immediate-release tablets. Journal of Pharmacy and Pharmacology 71 (11), 1663-1676, November 2019.

Rasool MF, et al.
Development and Evaluation of Physiologically Based Pharmacokinetic Drug-Disease Models for Predicting Rifampicin Exposure in Tuberculosis and Cirrhosis Populations. Pharmaceutics 11 (11), 578, November 2019.

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Assessing pharmacokinetic differences in Caucasian and East Asian (Japanese, Chinese and Korean) populations driven by CYP2C19 polymorphism using physiologically-based pharmacokinetic modelling. European Journal of Pharmaceutical Sciences 139, 105061, November 2019.

Huth F, et al.
Prediction of the Impact of CYP2C9 Genotypes on the Drug-Drug Interaction Potential of Siponimod with PBPK Modeling: A Comprehensive Approach for Drug Label Recommendations. Clinical Pharmacology & Therapeutics 106 (5):1113-1124, November 2019.

Lin J, et al.
Physiologically Based Pharmacokinetic Modeling Suggests Limited Drug-Drug Interaction for Fesoterodine When Coadministered With Mirabegron. Journal of Clinical Pharmacology 59 (11), 1505-1518, November 2019.

Ali I, et al.
Impact of reduced P-glycoprotein function on digoxin concentrations in patients with dementia. British Journal of Clinical Pharmacology 85 (10), 2351-2359, October 2019.

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Multiple administrations of fluconazole increase plasma exposure to ruxolitinib in healthy adult subjects. Cancer Chemotherapy and Pharmacology 84 (4), 749-757, October 2019.

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Combining biorelevant in vitro and in silico tools to simulate and better understand the in vivo performance of a nano-sized formulation of aprepitant in the fasted and fed states. European Journal of Pharmaceutical Sciences 138, 105031, October 2019.

Yamazaki H & Y Kamiya
Extrapolation of Hepatic Concentrations of Industrial Chemicals Using Pharmacokinetic Models to Predict Hepatotoxicity. Toxicol Res 35 (4), 295-301, October 2019.

Bergman A, et al.
Effect of Hepatic Organic Anion-Transporting Polypeptide 1B Inhibition and Chronic Kidney Disease on the Pharmacokinetics of a Liver-Targeted Glucokinase Activator: A Model-Based Evaluation. Clinical Pharmacology and Therapeutics 106 (4), 792-802, October 2019.

Farasyn T, et al.
Preincubation With Everolimus and Sirolimus Reduces Organic Anion-Transporting Polypeptide (OATP)1B1- and 1B3-Mediated Transport Independently of mTOR Kinase Inhibition: Implication in Assessing OATP1B1- and OATP1B3-Mediated Drug-Drug Interactions. Journal of Pharmaceutical Sciences 108 (10), 3443-3456, October 2019.

Chan JCY, et al.
Bottom-up physiologically-based biokinetic modelling as an alternative to animal testing. ALTEX 36 (4), 597-612, October 2019.

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Estimation of Fraction Dissolved After Intratracheal Delivery of a Potent Janus Kinase Inhibitor, iJAK-001, with Low Solubility in Rat and Sheep: Impact of Preclinical PKPD on Inhaled Human Dose Projection. Journal of Aerosol Medicine and Pulmonary Drug Delivery 32 (5), 251-265, October 2019.

Chen Y, et al.
Recommendations for the Design of Clinical Drug-Drug Interaction Studies With Itraconazole Using a Mechanistic Physiologically-Based Pharmacokinetic Model. Translational and Clinical Pharmacology 8 (9), 685-695, September 2019.

Ji B, et al.
Prediction of Drug-Drug Interactions Between Opioids and Overdosed Benzodiazepines Using Physiologically Based Pharmacokinetic (PBPK) Modeling and Simulation. Drugs in R&D 19 (3), 297-305, September 2019.

Yamazaki S, et al.
Physiologically-Based Pharmacokinetic Modeling Approach to Predict Rifampin-Mediated Intestinal P-Glycoprotein Induction. CPT: Pharmacometrics & Systems Pharmacology 8 (9), 634-642, September 2019.

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Development of a physiologically-based pharmacokinetic model for cyclosporine in Asian children with renal impairment. Translational and Clinical Pharmacology 27 (3), 107-114, September 2019.

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Physiologically-Based Pharmacokinetic Modeling of Atorvastatin Incorporating Delayed Gastric Emptying and Acid-to-Lactone Conversion. CPT: Pharmacometrics & Systems Pharmacology 8 (9):664-675, September 2019.

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GDC-0810 pharmacokinetics and transporter-mediated drug interaction evaluation with an endogenous biomarker in the first-in-human, dose escalation study. Drug Metabolism & Disposition 47(9):966-973, September 2019.

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Physiologically Based Pharmacokinetic (PBPK) Modelling for In vitro-In vivo Extrapolation: Emphasis on the Use of Dissolution Data. Dissolution Technologies 26 (3), 18-27, August 2019.

Madden JC, et al.
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Physiologically-Based Pharmacokinetic Modeling for the Prediction of CYP2D6-Mediated Gene-Drug-Drug Interactions. CPT: Pharmacometrics & Systems Pharmacology 8(8):567-576, August 2019.

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Physiologically based pharmacokinetic modelling to predict exposure differences in healthy volunteers and subjects with renal impairment: Ceftazidime case study. Basic & Clinical Pharmacology & Toxicology 125(2), 100-107, August 2019.

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Physiologically-based pharmacokinetic modeling for mirabegron: a multi-elimination pathway mediated by cytochrome P450 3A4, uridine 5’-diphosphate-glucuronosyltransferase 2B7, and butyrylcholinesterase. Xenobiotica 49(8), 912-921, August 2019.

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Evaluation of the Drug-Drug Interaction Potential of Acalabrutinib and Its Active Metabolite, ACP-5862, Using a Physiologically-Based Pharmacokinetic Modeling Approach. CPT: Pharmacometrics & Systems Pharmacology 8(7), 489-499, July 2019.

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Impact of Ethnicity-Specific Hepatic Microsomal Scaling Factor, Liver Weight, and Cytochrome P450 (CYP) 1A2 Content on Physiologically Based Prediction of CYP1A2-Mediated Pharmacokinetics in Young and Elderly Chinese Adults. Clinical Pharmacokinetics 58(7), 927-941, July 2019.

Fan J, et al.
The Pharmacokinetic Prediction of Cyclosporin A after Coadministration with Wuzhi Capsule. AAPS PharmSciTech 20(6), 247, July 2019.

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A Minimal Physiologically-Based Pharmacokinetic Model for Tacrolimus in Living-Donor Liver Transplantation: Perspectives Related to Liver Regeneration and the cytochrome P450 3A5 (CYP3A5) Genotype. CPT: Pharmacometrics & Systems Pharmacology 8 (8), 587-595, June 2019.

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A physiologically-based pharmacokinetic model adequately predicted the human pharmacokinetic profiles of YH4808, a novel K+-competitive acid blocker. European Journal of Pharmaceutical Sciences, 130, 1-10, March 2019.

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Transporter-mediated hepatic uptake plays an important role in the pharmacokinetics and drug-drug interactions of montelukast. Clinical Pharmacology & Therapeutics 101(3), 406-415, March 2017.

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Delineating the role of various factors in renal disposition of digoxin through application of physiologically-based kidney model to renal impairment populations. Journal of Pharmacology and Experimental Therapeutics 360(3), 484-495, March 2017.

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Using physiologically-based pharmacokinetic (PBPK) modeling to evaluate the impact of pharmaceutical excipients on oral drug absorption: Sensitivity analyses. The AAPS Journal 18(6), 1500-1511, November 2016.

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Mori K, et al.
Physiologically-based pharmacokinetic-pharmacodynamic modeling to predict concentrations and actions of sodiumdependent glucose transporter 2 inhibitor canagliflozin in human intestines and renal tubules. Biopharmaceutics & Drug Disposition 37(8), 491-506, November 2016.

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Using physiologically-based pharmacokinetic (PBPK) modeling to evaluate the impact of pharmaceutical excipients on oral drug absorption: Sensitivity. The AAPS Journal 18(6), November 2016.

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Assessment of DCE-MRI parameters for brain tumors through implementation of physiologically-based pharmacokinetic model approaches for Gd-DOTA. Journal of Pharmacokinetics & Pharmacodynamics 43(5), 529-547, October 2016.

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The use of in vitro data and physiologically-based pharmacokinetic modeling to predict drug metabolite exposure: Desipramine exposure in cytochrome P4502D6 extensive and poor metabolizers following administration of imipramine. Drug Metabolism & Disposition 44(10), 1569-1578, October 2016.

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Evaluation of CYP2B6 induction and prediction of clinical DDI: Considerations from the IQ Consortium Induction Working Group—An industry perspective. Drug Metabolism & Disposition 44(10), 1720-1730, October 2016.

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A physiologically-based pharmacokinetic model to describe artemether pharmacokinetics in adult and pediatric patients. Journal of Pharmaceutical Sciences 105(10), 3205-3213, October 2016.

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Application of physiologically-based pharmacokinetic modeling in predicting drug-drug interactions for sarpogrelate hydrochloride in humans. Drug Design, Development and Therapy 10, 2959-2972, September 2016.

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A three-pulse release tablet for amoxicillin: Preparation, pharmacokinetic study and physiologically-based pharmacokinetic modeling. PLoS One 11(1) e0160260, August 2016.

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Evaluation of a new molecular entity as a victim of metabolic drug-drug interactions—An industry perspective. Drug Metabolism & Disposition 44(8), 1399-1423, August 2016.

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Quinolone amides as anti-trypanosomal lead compounds with in vivo activity. Antimicrobial Agents and Chemotherapy 60(8), 4442-4452, July 2016.

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Predicting stereoselective disposition of carvedilol in adult and pediatric chronic heart failure patients by incorporating pathophysiological changes in organ blood flows—A physiologically-based pharmacokinetic approach. Drug Metabolism & Disposition 44(7), 1103-1115, July 2016.

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The ontogeny and population variability of human hepatic NADPH dehydrogenase quinone oxido-reductase 1 (NQO1). Drug Metabolism & Disposition 44(7), 967-974, July 2016.

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Application of a “fit for purpose” PBPK model to investigate the CYP3A4 induction potential of enzalutamide. Drug Metabolism Letters 10(3), 172-179, July 2016.

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Combining ‘bottom-up’ and ‘top-down’ methods to assess ethnic difference in clearance: Bitopertin as an example. Clinical Pharmacokinetics 55(7), 823-832, July 2016.

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Multiparameter lead optimization to give an oral checkpoint kinase 1 (CHK1) inhibitor clinical candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2- yl)amino)pyrazine-2-carbonitrile (CCT245737). Journal of Medicinal Chemistry 59(11), 5221-5237, June 2016.

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Development of a physiologically-based pharmacokinetic model for itraconazole pharmacokinetics and drug-drug interaction prediction. Clinical Pharmacokinetics 55(6), 735-749, June 2016.

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Simulation and prediction of the drug-drug interaction potential of naloxegol by physiologically-based pharmacokinetic modeling. CTP: Pharmacometrics and Systems Pharmacology 5(5), 250-257, May 2016.

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Prolonged induction of warfarin metabolism and a paradoxical INR response in a mitral valve replacement patient receiving rifampicin for infective endocarditis. Biomedical Research and Clinical Practice 1(2), 62-65, May 2016.

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Mechanistic modeling to predict midazolam metabolite exposure from in vitro data. Drug Metabolism & Disposition 44(5), 781-791, May 2016.

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In silico evaluation of warfarin-bucolome therapy. Biopharmaceutics & Drug Disposition 37(4), 233-242, May 2016

Jiang X, et al.
Development of a physiologically-based pharmacokinetic model to predict disease-mediated therapeutic protein-drug interactions: Modulation of multiple cytochrome P450 enzymes by interleukin-6. The AAPS Journal 18(3), 767-776, May 2016.

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Clinical exposure boost predictions by integrating cytochrome P450 3A4-humanized mouse studies with PBPK modeling. Journal of Pharmaceutical Sciences 105(4), 1398-1404, April 2016.

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Physiologically-based pharmacokinetic modeling of macitentan: Prediction of drug-drug interactions. Clinical Pharmacokinetics 55(3), 369-380, March 2016.

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Meta-analysis of hepatic cytochrome P450 ontogeny to underwrite the prediction of pediatric pharmacokinetics using physiologically-based pharmacokinetic modeling. Journal of Clinical Pharmacology 56(3), 266-283, March 2016.

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Physiologically-based modeling of darunavir/ritonavir pharmacokinetics during pregnancy. Clinical Pharmacokinetics 55(3), 381-396, March 2016.

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Model-based approaches for ivabradine development in paediatric population, part I: Study preparation assessent. Journal of Pharmacokinetics and Pharmacodynamics 43(1), 13-27, February 2016.

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Mechanistic understanding of the non-linear pharmacokinetics and inter-subject variability of simeprevir: A PBPK-guided drug development approach. Clinical Pharmacology & Therapeutics 99(2), 224-234, February 2016.

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Application of a new dynamic model to predict the in vitro intrinsic clearance of tolbutamide using rat microsomes encapsulated in a Fab hydrogel. Drug Metabolism & Disposition 44(1), 40-49, January 2016.

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A physiologically-based pharmacokinetic modeling approach to predict drug-drug interactions between domperidone and inhibitors of CYP3A4. Biopharmaceutics & Drug Disposition 37(1), 15-27, January 2016.

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Semiphysiologically-based pharmacokinetic model for midazolam and CYP3A mediated metabolite 1-OH-midazolam in morbidly obese and weight loss surgery patients. CPT: Pharmacometrics & Systems Pharmacology 5(1), 20-30, January 2016.

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The non-specific binding of tyrosine kinase inhibitors to human liver microsomes. Drug Metabolism & Disposition 43(12), 1934-1937, December 2015.

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Physiologically-based pharmacokinetics model predicts the lack of inhibition by repaglinide on the metabolism of pioglitazone. Biopharmaceutics & Drug Disposition 36(9), December 2015.

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Quantitative prediction and clinical evaluation of an unexplored herb-drug interaction mechanism in healthy volunteers. CPT: Pharmacometrics & Systems Pharmacology 4(12), 701-710, December 2015.

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Incorporating high-throughput exposure predictions with dosimetry-adjusted in vitro bioactivity to inform chemical toxicity testing. Toxicological Sciences 148(1), 121-136, November 2015.

Guo J, et al.
Physiologically-based pharmacokinetic modeling to predict complex drug-drug interactions: A case study of AZD2327 and
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PBPK modeling of irbesartan: Incorporation of hepatic uptake. Biopharmaceutics & Drug Disposition 36(8), 491-506, November 2015.

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Drug disposition and modeling before and after gastric bypass: Immediate and controlled release metoprolol formulations. British Journal of Clinical Pharmacology 80(5), 1021-1230, November 2015.

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Physiologically-based pharmacokinetic modeling of renally excreted antiretroviral drugs in pregnant women. British Journal
of Clinical Pharmacology 80(5), 1031-1041, November 2015.

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Physiologically-based pharmacokinetic predictions of tramadol exposure throughout pediatric life: An analysis of the different
clearance contributors with emphasis on CYP2D6 maturation. The AAPS Journal 17(6), 1376-1387, November 2015.

Yamazaki S, et al.
Prediction of drug-drug interactions with crizotinib as the CYP3A substrate using a physiologically-based pharmacokinetic model.
Drug Metabolism & Disposition 43(10), 1417-1429, October 2015.

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Application of absorption modeling in rational design of drug product under quality-by-design paradigm. The AAPS Journal 17(5), 1224-1236, September 2015.

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of Pharmaceutical Sciences 104(9), 2702-2726, September 2015.

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In vitro solubility, dissolution and permeability studies combined with semi-mechanistic modeling to investigate the intestinal absorption of desvenlafaxine from an immediate- and extended- release formulation. European Journal of Pharmaceutical Sciences 77, 303-313, September 2015.

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Effect of multiple intravenous doses of lanicemine (AZD6765) on the pharmacokinetics of midazolam in healthy subjects. Journal of Clinical Pharmacology 55(9), 1024-1030, September 2015.

Zhang T
Physiologically-based pharmacokinetic modeling of disposition and drug-drug interactions for atorvastatin and its metabolites. European Journal of Pharmaceutical Sciences 77, 216-229,
September 2015.

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Optimizing pharmacokinetic bridging studies in paediatric oncology using physiologically-based pharmacokinetic modeling:
Application to docetaxel. British Journal of Clinical Pharmacology 80(3), 534-547, September 2015.

Xu Y, et al.
Physiologically-based pharmacokinetic model to assess the influence of blinatumomab-mediated cytokine elevations on cytochrome P450 enzyme activity CPT: Pharmacometrics &
Systems Pharmacology 4 (9), 507-515, September 2015.

Rasool MF, et al.
A physiologically-based pharmacokinetic drug-disease model to predict carvedilol exposure in adult and paediatric heart failure
patients by incorporating pathophysiological changes in hepatic and renal blood flows. Clinical Pharmacokinetics 54(9), 943-962,
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Metformin’s intrinsic blood-to-plasma partition ratio (B/P): Reconciling the perceived high in vivo B/P. 10 with the in vitro
equilibrium value of unity. The Journal of Pharmacology and Experimental Therapeutics 354(2), 225-229 August 2015.

Varma MVS, et al.
Quantitative rationalization of gemfibrozil drug interactions: Consideration of transporters-enzyme interplay and the role of
circulating metabolite gemfibrozil 1-O-ß-glucuronide. European Journal of Pharmaceutical Sciences 43(7), 1108-1118, July 2015.

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In vitro-in vivo-in silico approach in biopharmaceutical characterization of ibuprofen IR and SR tablets. European Journal
of Pharmaceutical Sciences 75, 151-159, July 2015.

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Assessment of the persistence of anacetrapib and evacetrapib concentrations using two pharmacokinetic modeling approaches.
The Journal of Clinical Pharmacology 55(7), 757-767, July 2015.

Shida S, et al.
Human plasma concentrations of cytochrome P450 probes extrapolated from pharmacokinetics in cynomolgus monkeys
using physiologically-based pharmacokinetic modeling. Xenobiotica 45(10), 881-886, June 2015.

Chen J, et al.
Relative contributions of the major human CYP450 to the metabolism of icotinib and its implication in prediction of drug-drug interaction between icotinib and CYP3A4 inhibitors/inducers using physiologically-based pharmacokinetic modeling.
Expert Opinion on Drug Metabolism and Toxicology 11(6), 857- 868, June 2015.

Shin HM, et al.
Risk-based high-throughput chemical screening and prioritization using exposure models and in vitro bioactivity assays.
Environmental Science & Technology 49(11), 6760-6771, May 2015.

Zhou L, et al.
Integration of physiologically-based pharmacokinetic modeling in early childhood development: An investigation of the pharmacokinetic nonlinearity. CPT: Pharmacometrics & Systems Pharmacology 4(5), 286-294, June 2015.

Feng S, et al.
Evaluating a physiologically-based pharmacokinetic model for prediction of omeprazole clearance and assessing ethnic sensitivity in CYP2C19 metabolic pathway. European Journal of Clinical Pharmacology 71(5), 617-624, May 2015.

Sy S, et al.
Effect of reducing the paediatric stavudine dose by half: A physiologically-based pharmacokinetic model. International Journal of Antimicrobial Agents 45(4), 413-419, April 2015.

Djebli N, et al.
Physiologically-based pharmacokinetic modeling for sequential metabolism: Effect of CYP2C19 genetic polymorphism on clopidogrel and clopidogrel active metabolite pharmacokinetics. Drug Metabolism & Disposition 43(4), 510-522, April 2015.

Nakamaru Y, et al.
Human pharmacokinetic profiling of the dipeptidyl peptidase-IV inhibitor teneligliptin using physiologically-based pharmacokinetic modeling. Biopharmaceutics & Drug Disposition 36(3), 148-162, April 2015.

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Pre-clinical pharmacokinetic/pharmacodynamic modeling and simulation in the pharmaceutical industry: An IQ Consortium survey examining the current landscape. The AAPS Journal 17(2), 462- 473, March 2015.

Collins TA, et al.
Modeling and simulation approaches for cardiovascular function and their role in safety assessment. CPT: Pharmacometrics Systems Pharmacology 4(3), 175-188, March 2015.

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Prediction of renal transporter mediated drug-drug interactions for pemetrexed using physiologically-based pharmacokinetic modeling. Drug Metabolism & Disposition 43(3), 325-334, March 2015.

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Development of a pediatric physiologically-based pharmacokinetic model for sirolimus: Applying principles of growth and maturation in neonates and infants. CPT: Pharmacometrics & Systems Pharmacology 4(2), 127-134, February 2015.

Chen Y, et al.
Physiologically-based pharmacokinetic modeling to predict drug-drug interactions involving inhibitory metabolite: A case study of amiodarone. Drug Metabolism & Disposition 43(2), 182- 189, February 2015.

Olivares-Morales A, et al.
Analysis of the impact of controlled release formulations on oral drug absorption, gut wall metabolism and relative bioavailability of CYP3A substrates using a physiologically-based pharmacokinetic model. European Journal of Pharmaceutical Sciences 67, 32-44, January 2015.

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Evaluation of the likelihood of a selective CHK1 inhibitor (LY2603618) to inhibit CYP2D6 with desipramine as a probe substrate in cancer patients. Biopharmaceutics & Drug Disposition 36(1), 49- 63, January 2015.

Chen Y, et al.
Physiologically-based pharmacokinetic modeling as a tool to predict drug interactions for antibody-drug conjugates. Clinical Pharmacokinetics 54(1), 81-93, January 2015.

T’Jollyn H, et al.
Physiology-based IVIVE predictions of tramadol from in vitro metabolism data. Pharmaceutical Research 32(1), 260-274, January 2015.

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Predicting the effect of cytochrome P450 inhibitors on substrate drugs: Analysis of physiologically-based pharmacokinetic modeling submissions to the US Food and Drug Administration. Clinical Pharmacokinetics 54(1), 117-127, January 2015.

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Use of in vitro to in vivo extrapolation to predict the optimal strategy for patients switching from efavirenz to maraviroc or nevirapine. Clinical Pharmacokinetics 54(1), 107-116, January 2015.

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Development of in vitro-in vivo correlation/relationship (IVIVC/IVIVR) modeling approaches for immediate release formulations using compartmental dynamic dissolution data from ‘Golem’—a novel apparatus. BioMed Research International vol. 2015, Article ID 328628, January 2015.

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Prediction of metabolic interactions with oxycodone via CYP2D6 and CYP3A inhibition using a physiologically-based pharmacokinetic model. CPT: Pharmacometrics & Systems Pharmacology 3(12), 1-8, December 2014.

Lu C, et al.
Assessment of cytochrome P450-mediated drug-drug interaction potential of orteronel and exposure changes in patients with renal impairment using physiologically-based pharmacokinetic modeling and simulation. Biopharmaceutics & Drug Disposition
35(9), 543-552, December 2014.

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Assessment of a candidate marker constituent predictive of a dietary substance-drug interaction: Case study with grapefruit
juice and CYP3A4 drug substrates. The Journal of Pharmacology and Experimental Therapeutics 351(3), 576-584, December 2014.

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First dose in neonates: Are juvenile mice, adults and in vitro-in silico data predictive of neonatal pharmacokinetics of fluconazole?
Clinical Pharmacokinetics 53(11), 1005-1018, November 2014.

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Incorporating population variability and susceptible subpopulations into dosimetry for high-throughput toxicity testing. Toxicological Sciences 142(1), 210-224, November 2014.

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Gastrointestinal transfer: In vivo evaluation and implementation in in vitro and in silico predictive tools. European Journal of Pharmaceutical Sciences 63, 233-242 October 2014.

Cristofoletti R & Dressman JB
Use of physiologically-based pharmacokinetic models coupled with pharmacodynamic models to assess the clinical relevance of current bioequivalence criteria for generic drug products containing ibuprofen. Journal of Pharmaceutical Sciences 103(10), 3263-3275, October 2014.

Kogure N, et al.
Prediction of the extent and variation of grapefruit juice-drug interactions from the pharmacokinetic profile in the absence of grapefruit juice. Biopharmaceutics & Drug Disposition 35(7), 373-381, October 2014.

Xia B, et al.
Physiologically-based pharmacokinetic modeling for assessing the clinical drug-drug interaction of alisporivir. European Journal of Pharmaceutical Sciences 63, 103-112, October 2014.

Ball K, et al.
Comparing translational population-PBPK modeling of brain microdialysis with bottom-up prediction of brain-to-plasma distribution in rat and human. Biopharmaceutics & Drug Disposition 35(8), 485- 499, September 2014.

Li J, et al.
Complex disease-, gene-, and drug-drug interactions: Impacts of renal function, CYP2D6 phenotype, and OCT2 activity on veliparib pharmacokinetics. Clinical Cancer Research 20(15), 3931- 3944, August 2014.

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Macitentan does not interfere with hepatic bile salt transport. Journal of Pharmacology and Experimental Therapeutics 350(1), 130-143, July 2014.

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Mechanism-based pharmacokinetic modeling to evaluate transporter-enzyme interplay in drug interactions and pharmacogenetics of glyburide. American Association of Pharmaceutical Scientists Journal 16(4), 736-748, July 2014.

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Investigating the contribution of CYP2J2 to ritonavir metabolism in vitro and in vivo. Biochemical Pharmacology Research 91(1), 109-118, June 2014.

Spanakis M & Marias K
In silico evaluation of gadofosveset pharmacokinetics in different population groups using the Simcyp simulator platform. In Silico Pharmacology 2(2), 1-9, June 2014.

Vieira MdLT, et al.
PBPK model describes the effects of comedication and genetic polymorphism on systemic exposure of drugs that undergo multiple clearance pathways. Clinical Pharmacology & Therapeutics 95(5), 550-557, May 2014.

Ke AB, et al.
Itraconazole and clarithromycin as ketoconazole alternatives for clinical CYP3A inhibition studies. Clinical Pharmacology &
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The successes and failures of physiologically-based pharmacokinetic modeling: There is room for improvement. Expert Opinion on
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Sinha V, et al.
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Idkaidek NM & Najib N
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Khalil F & Läer S
Physiologically-based pharmacokinetic models in the prediction of oral drug exposure over the entire pediatric age range— Sotalol as a model drug. AAPS Journal 16(2), 226-239, March 2014.

Hsu V, et al.
Towards quantitation of the effects of renal impairment and probenecid inhibition on kidney uptake and efflux transporters,
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Nordmark A, et al.
Assessment of interaction potential of AZD2066 using in vitro metabolism tools, physiologically-based pharmacokinetic
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Evaluation of various static in vitro-in vivo extrapolation models for risk assessment of the CYP3A inhibition potential of an investigational drug. Clinical Pharmacology & Therapeutics 95(2),189-198, February 2014.

Xu C, et al.
CYP2B6 pharmacogenetics-based in vitro-in vivo extrapolation of efavirenz clearance by physiologically-based pharmacokinetic
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Using human recombinant UDP-glucuronosyltransferase isoforms and a relative activity factor approach to model total body clearance of laropiprant (MK-0524) in humans. Xenobiotica 43(12), 1027-1036, December 2013.

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Identification and characterization of psoralen and isopsoralen as potent CYP1A2 reversible and time-dependent inhibitors in human and rat pre-clinical studies. Drug Metabolism &
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Mechanistic understanding of the effect of PPIs and acidic carbonated beverages on the oral absorption of itraconazole based on absorption modeling with appropriate in vitro data. Molecular Pharmaceutics 10(11), 4016-4023, November 2013.

Mead RJ, et al.
S[+] apomorphine is a CNS penetrating activator of the Nrf2-ARE pathway with activity in mouse and patient fibroblast models of amyotrophic lateral sclerosis. Free Radical Biology & Medicine 61, 438-452, August 2013.

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Prediction of drug-drug interactions between various antidepressants and efavirenz or boosted protease inhibitors using a physiologically-based pharmacokinetic modeling approach. Clinical Pharmacokinetics 52(7), 583-592, July 2013. Erratum in: Clinical Pharmacokinetics 52(7), 613-614, July 2013.

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A physiologically-based pharmacokinetic (PBPK) approach to evaluate pharmacokinetics in patients with cancer. Biopharmaceutics & Drug Disposition 34(3), 141-154, April 2013.

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A poor metabolizer of both CYP2C19 and CYP2D6 identified by mechanistic pharmacokinetic simulation in a fatal drug poisoning case involving venlafaxine. Forensic Science International 226(1-3), e26-e31, March 2013.

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Inhibitory effect of ketoconazole on the pharmacokinetics of a multireceptor tyrosine kinase inhibitor BMS-690514 in healthy participants: Assessing the mechanism of the interaction with physiologically-based pharmacokinetic simulations. Journal of
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Prediction of crizotinib-midazolam interaction using the Simcyp population-based simulator: Comparison of CYP3A time-dependent
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Autoinhibition of CYP3A4 leads to important role of CYP2C8 in imatinib metabolism: Variability in CYP2C8 activity may alter
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CYP2B6 pharmacogenetics-based in vitro-in vivo extrapolation of efavirenz clearance by physiologically-based pharmacokinetic
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Gibson CR, et al.
Using human recombinant UDP-glucuronosyltransferase isoforms and a relative activity factor approach to model total body clearance of laropiprant (MK-0524) in humans. Xenobiotica 43(12), 1027-1036, December 2013.

Zhuang XM, et al.
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