Advancing understanding of human variability through toxicokinetic modeling, in vitro-in vivo extrapolation, and new approach methodologies

Advancing understanding of human variability through toxicokinetic modeling, in vitro-in vivo extrapolation, and new approach methodologies

Publication: Hum Genomics
Software: ADMET Predictor®
Division: Cheminformatics

The merging of physiology and toxicokinetics, or pharmacokinetics, with computational modeling to characterize dosimetry has led to major advances for both the chemical and pharmaceutical research arenas.

A review of quantitative structure-activity relationship: The development and current status of data sets, molecular descriptors and mathematical models

A review of quantitative structure-activity relationship: The development and current status of data sets, molecular descriptors and mathematical models

Authors: Li J, Zhao T, Yang Q, Du S, Xu L
Publication: Chemometr Intell Lab Syst
Software: ADMET Predictor®
Division: Cheminformatics

Developing Quantitative Structure-Activity Relationship (QSAR) models applicable to general molecules is of great significance for molecular design in many disciplines.

Accurate Prediction of Liver Fat Reductions Across Range of Weight Loss by Quantitative Systems Pharmacology Modeling

Accurate Prediction of Liver Fat Reductions Across Range of Weight Loss by Quantitative Systems Pharmacology Modeling

Conference: AASLD
Software: NAFLDsym®

Weight loss has positive effects on reducing hepatic lipid burden in MASH patients. Reports using various...

Investigation of the Anti-asthmatic Activity of Solidagenone, In Vitro Toxicity Versus In Silico Studies

Investigation of the Anti-asthmatic Activity of Solidagenone, In Vitro Toxicity Versus In Silico Studies

Publication: Revista Brasileira de Farmacognosia
Software: ADMET Predictor®
Division: Cheminformatics

Solidagenone, a labdane diterpene isolated from inflorescences of Solidago chilensis Meyen, Asteraceae, was investigated for its anti-inflammatory and anti-asthmatic action.

Ocular Drug Discovery & Development: How Modeling & Simulation is Driving and Optimizing Complex Formulations

Ocular Drug Discovery & Development: How Modeling & Simulation is Driving and Optimizing Complex Formulations

Software: GastroPlus®
Division: PBPK

The development of ophthalmic drug products is challenging due to the complexity of the ocular system, the lack of sensitive testing to evaluate the interplay of its physiology with ophthalmic drugs, and measurement limitations associated with ocular pharmacokinetics.

Erectile Dysfunction Therapy of Bariatric Patients: Tadalafil Biopharmaceutics and Pharmacokinetics Before vs. After Gastric Sleeve/Bypass

Erectile Dysfunction Therapy of Bariatric Patients: Tadalafil Biopharmaceutics and Pharmacokinetics Before vs. After Gastric Sleeve/Bypass

Publication: AAPS J
Software: GastroPlus®
Division: PBPK

Bariatric surgery introduces significant changes in the gastrointestinal tract, which may affect oral drug absorption/bioavailability.

Quantitative Systems Toxicology Modeling of Otenaproxesul Liver Enzyme Elevations Leads to Prediction of Liver Safety for Acute Otenaproxesul Dosing

Quantitative Systems Toxicology Modeling of Otenaproxesul Liver Enzyme Elevations Leads to Prediction of Liver Safety for Acute Otenaproxesul Dosing

Conference: ACoP
Software: DILIsym®

Otenaproxesul (ATB-346), a drug that combines naproxen with a thiobenzamide antioxidant, is being developed as an NSAID that reduces gut toxicity effects. Liver...

Weight Loss and Nausea from Subcutaneous and Oral Semaglutide Accurately Simulated with a QSP Model

Weight Loss and Nausea from Subcutaneous and Oral Semaglutide Accurately Simulated with a QSP Model

Conference: ACoP
Software: OBESITYsym

The recent availability of effective GLP-1R agonist (GLP-1RA) based treatments of obesity has provided great benefit to patients. Understanding the balance between body weight (BW) loss...

Evaluation of Drug–Drug Interactions Between Clarithromycin and Direct Oral Anticoagulants Using Physiologically Based Pharmacokinetic Models

Evaluation of Drug–Drug Interactions Between Clarithromycin and Direct Oral Anticoagulants Using Physiologically Based Pharmacokinetic Models

Authors: Yang Z, Qu Y, Sun Y, Pan J, Zhou T, Yu Y
Publication: Pharmaceutics
Software: GastroPlus®
Division: PBPK

This study assessed the pharmacokinetic (PK) interactions between clarithromycin (a P-glycoprotein [P-gp] inhibitor) and four direct oral anticoagulants (DOACs) (P-gp substrates) using physiologically based PK (PBPK) models to elucidate the influence of P-gp in the interaction between them.