Cosmetics Europe evaluation of 6 in silico skin penetration models

Cosmetics Europe evaluation of 6 in silico skin penetration models

Authors: Grégoire S, Sorrell I, Lange D, Najjar A, Schepky A, Ellison C, Troutman J, Fabian E, Duplan H, Géniès C, Jacques-Jamin C, Klaric M, Hewitt NJ
Publication: Computational Toxicology
Keywords: dermal delivery, gastroplus, IVIVE, mechanistic absorption, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling, tcat, transdermal
Software: GastroPlus®

The ADME TF aims to develop in silico skin penetration models using in vitro human skin penetration data for 25 chemicals solubilized in water.

Predicting quantitatively P-glycoprotein mediated drug-drug interactions and intestinal absorption using humanized mice

Predicting quantitatively P-glycoprotein mediated drug-drug interactions and intestinal absorption using humanized mice

Authors: Miyake T, Tsutsui H, Haraya K, Tachibana T, Morimoto K, Takehara S, Ayabe M, Kazuki Y
Publication: Br J Pharmacol
Keywords: DDIs, gastroplus, IVIVE, pbbm, PBPK modeling, pgp, physiologically based biopharmaceutics modeling, transporters
Software: GastroPlus®

P-glycoprotein (P-gp) exhibits a broad specificity for substrates and affects their pharmacokinetics, especially intestinal absorption.

Predicting the potential toxicity of 26 components in Cassiae semen using in silico and in vitro approaches

Predicting the potential toxicity of 26 components in Cassiae semen using in silico and in vitro approaches

Authors: Yang J, Wang S, Zhang T, Sun Y, Han L, Banahene PO, Wang Q
Publication: Cur Res Tox
Keywords: Cassia obtusifolia L, Cassiae semen, cytotoxicity, general linear models (GLMs), QSAR model
Software: ADMET Predictor®, GastroPlus®

Cassiae semen are dried and ripe seeds of Cassia obtusifolia L. or Cassia tora L. (Fabaceae) and have been made into roasted tea or used as a traditional medicine in Asian countries.

Biocompatible solvent selection based on thermodynamic and computational solubility models, in-silico GastroPlus prediction, and cellular studies of ketoconazole for subcutaneous delivery

Biocompatible solvent selection based on thermodynamic and computational solubility models, in-silico GastroPlus prediction, and cellular studies of ketoconazole for subcutaneous delivery

Authors: Hussain A, Alshehri S, Ramzan M, Afzal O, Altamimi ASA, Alossaimi MA
Publication: J Drug Deliv Sci Technol
Keywords: dermal delivery, excipients, gastroplus, injection, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling, subq
Software: GastroPlus®

We aimed to identify a suitable solvent [dimethyl acetamide (DMA), ethyl acetate, (EA), N-methyl pyrrolidone (NMP), cremophor-EL (CEL), transcutol-HP (THP), polyethylene glycol 400 (PEG-400), limonene and ethanol]...

In Silico Modeling and Simulation to Guide Bioequivalence Testing for Oral Drugs in a Virtual Population

In Silico Modeling and Simulation to Guide Bioequivalence Testing for Oral Drugs in a Virtual Population

Authors: Zhang F, Gao H, Jia F, Wu X, Liu B, Wang H
Publication: Clin Pharmacokinet
Keywords: gastroplus, mechanistic absorption model, pbbm, PBPK modeling, physiologically based biopharmaceutics, population simulations, vbe, virtual bioequivalence trials
Software: GastroPlus®

Model-informed drug discovery and development (MID3) shows great advantages...

Population Pharmacokinetics (Pop PK) of MYL‑1402O (a Proposed Biosimilar to Bevacizumab) and Reference Product (Avastin) in Patients With Nonsquamous Non-Small Cell Lung Cancer (nsNSCLC)

Population Pharmacokinetics (Pop PK) of MYL‑1402O (a Proposed Biosimilar to Bevacizumab) and Reference Product (Avastin) in Patients With Nonsquamous Non-Small Cell Lung Cancer (nsNSCLC)

Authors: Owen JS, Rackley R, Hummel MA, Roepcke S, Huang H, Liu M, Idris T, Murugesan SMN, Vishweswaramurthy A, Loganathan S, Ranganna G, Barve A, Waller CF, Socinski MA
Publication: Journal of Clinical Oncology
Keywords: Avastin, bevacizumab, biosimilar, MYL-1402O, nonsquamous non-small cell lung cancer, nsNSCLC, population pharmacokinetics
Division: Cognigen

MYL-1402O (MYL) is a proposed biosimilar to bevacizumab reference product. A multicenter, double blind randomized, phase 3 study compared the efficacy, safety, PK, and immunogenicity of...

Treatment Optimization of Maintenance Immunosuppressive Agents in Pediatric Renal Transplant Recipients

Treatment Optimization of Maintenance Immunosuppressive Agents in Pediatric Renal Transplant Recipients

Authors: Roberts JK, Job KM, Enioutina EY, IIIamola SM, Kumar S, Rashid J, Ward RM, Fukuda T, Sherbotie J, Sherwin CM
Publication: Expert Opin Drug Metab Toxicol
Keywords: Graft survival, immunosuppressant, immunosuppressive agents, kidney transplantation, Pediatric, pharmacokinetics, renal transplant
Division: Cognigen

Introduction: Graft survival in pediatric kidney transplant patients has increased significantly within the last three decades, correlating with the discovery and utilization of new immunosuppressants as well as...

Experimental Solubility of Ketoconazole, Validation Models, and In vivo Prediction in Human Based on GastroPlus

Experimental Solubility of Ketoconazole, Validation Models, and In vivo Prediction in Human Based on GastroPlus

Authors: Hussain A, Altamimi MA, Alshehri S, Imam SS, Haque MW
Publication: AAPS PharmSciTech
Keywords: gastroplus, mechanistic absorption model, pbbm, PBPK modeling, physiologically based biopharmaceutics, subcutaneous delivery, subq injection
Software: GastroPlus®

The study aimed to identify a suitable cosolvent + water mixture for subcutaneous...

Beta-thalassemia major alters sofosbuvir/ledipasvir exposure in Hepatitis C virus infected adolescent patients

Beta-thalassemia major alters sofosbuvir/ledipasvir exposure in Hepatitis C virus infected adolescent patients

Authors: El-Baraky I, Abassi M, Hassany M, Sabry N, El-Sayed M
Publication: Clin Res Hepatology Gastroenterology
Keywords: Hepatitis C virus, Ledipasvir, pharmacokinetics, Sofosbuvir, Thalassemia
Software: PKanalix®
Division: Lixoft

Hepatitis C virus (HCV) infected adolescents with beta-thalassemia major (BTM) are considered a potential population for HCV micro-elimination model development where BTM may...

A physiologically-based nanocarrier biopharmaceutics model to reverse-engineer the in vivo drug release

A physiologically-based nanocarrier biopharmaceutics model to reverse-engineer the in vivo drug release

Authors: Nagpal S, Braner S, Modh H, Tan AXX, Mast MP, Chichakly K, Albrecht V, Wacker MG
Publication: Eur J Pharm Biopharm
Keywords: AmBisome, Amphotericin, dissolution, Doxil, Doxorubicin, drug delivery, Foslip, In vitro release Generics, Liposome, Myocet, Nanomaterial, Nanomedicine, PBPK, pharmacokinetics, release, Temoporfin
Software: PKanalix®
Division: Lixoft

Over the years, a wide variety of nanomedicines has entered global markets, providing a blueprint for the emerging generics industry.

PBPK Modeling Approach to Predict the Behavior of Drugs Cleared by Kidney in Pregnant Subjects and Fetus

PBPK Modeling Approach to Predict the Behavior of Drugs Cleared by Kidney in Pregnant Subjects and Fetus

Authors: Szeto KX, Le Merdy M, Dupont D, Bolger MB, Lukacova V
Publication: AAPS J
Keywords: in silico, PBPK, pregnancy, renal clearance
Software: GastroPlus®
Division: Simulations Plus

The purpose of this study was to develop a physiologically based pharmacokinetic (PBPK) model predicting the pharmacokinetics (PK) of different compounds in pregnant subjects.

Application of a dual mechanistic approach to support bilastine dose selection for older adults

Application of a dual mechanistic approach to support bilastine dose selection for older adults

Authors: Kim CMJ, Lo Re V, Rodriguez M, Lukas JC, Leal N, Campo C, García-Bea A, Suarez E, Schmidt S, Vozmediano V
Publication: CPT Pharmacometrics Syst Pharmacol
Keywords: gastroplus, geriatrics, mechanistic absorption model, pbbm, PBPK modeling, physiologically based biopharmaceutics, special populations, virtual populations
Software: GastroPlus®

The objective of this study was to evaluate bilastine dosing recommendations in older adults and overcome the limitation of insufficient data from phase I studies in this underrepresented population.

Use of Physiologically Based Pharmacokinetic Modeling for Predicting Drug–Food Interactions: Recommendations for Improving Predictive Performance of Low Confidence Food Effect Models

Use of Physiologically Based Pharmacokinetic Modeling for Predicting Drug–Food Interactions: Recommendations for Improving Predictive Performance of Low Confidence Food Effect Models

Authors: Wagner C, Kesisoglou F, Pepin XJ, Parrott N, Emami Riedmaier A
Publication: AAPS J
Keywords: food effect, gastroplus, meal types, mechanistic absorption model, pbbm, PBPK modeling, physiologically based biopharmaceutics
Software: GastroPlus®

Food can alter drug absorption and impact safety and efficacy.