Physiologically Based Pharmacokinetic Modelling for First-In-Human Predictions: An Updated Model Building Strategy Illustrated with Challenging Industry Case Studies

Physiologically Based Pharmacokinetic Modelling for First-In-Human Predictions: An Updated Model Building Strategy Illustrated with Challenging Industry Case Studies

Publication: Clin Pharmacokinet
Software: GastroPlus®
Division: PBPK

Physiologically based pharmacokinetic modelling is well established in the pharmaceutical industry and is accepted by regulatory agencies for the prediction of drug–drug interactions.

An Integrated Analysis of Solid Form Change Impact on Solubility and Permeability: Case Study of Oral Exposure in Rats of an RAR Related Orphan Receptor C Inhibitor

An Integrated Analysis of Solid Form Change Impact on Solubility and Permeability: Case Study of Oral Exposure in Rats of an RAR Related Orphan Receptor C Inhibitor

Publication: J Pharm Sci
Software: GastroPlus®

It is well acknowledged that the oral absorption of a drug can be influenced by its solubility, which is usually associated with its solid form properties. G1032 is a retinoic acid–related orphan receptor inverse agonist.

Analyzing the Mechanisms Behind Macrolide Antibiotic-Induced Liver Injury Using Quantitative Systems Toxicology Modeling

Analyzing the Mechanisms Behind Macrolide Antibiotic-Induced Liver Injury Using Quantitative Systems Toxicology Modeling

Publication: Pharm Res
Software: DILIsym®

The macrolide class of antibiotics are frequently prescribed antibiotics for otherwise drug-resistant bacterial infections. Several macrolide antibiotics are currently available for clinical use. Erythromycin is the first generation macrolide; it was isolated from the bacteria Saccharopolyspora erythraea in the 1950s.

Revisiting fish toxicity of active pharmaceutical ingredients: Mechanistic insights from integrated ligand-/structure-based assessments on acetylcholinesterase

Revisiting fish toxicity of active pharmaceutical ingredients: Mechanistic insights from integrated ligand-/structure-based assessments on acetylcholinesterase

Publication: Ecotoxicol Environ Saf
Software: ADMET Predictor®

The release of active pharmaceutical ingredients (APIs) into the environment is of great concern for aquatic ecosystem as many of these chemicals are designed to exert biological activity.

Development, validation and integration of in silico models to identify androgen active chemicals

Development, validation and integration of in silico models to identify androgen active chemicals

Publication: Chemosphere
Software: ADMET Predictor®

Humans are exposed to large numbers of environmental chemicals, some of which potentially interfere with the endocrine system.

Mechanistic Investigation of the Androgen Receptor DNA-Binding Domain Inhibitor Pyrvinium

Mechanistic Investigation of the Androgen Receptor DNA-Binding Domain Inhibitor Pyrvinium

Publication: ACS Omega

Pyrvinium was identified as the first small molecule inhibitor of the androgen receptor (AR) DNA-binding domain (DBD). It was also among the first small molecules shown to...

Model-Informed Drug Discovery and Development: Current Industry Good Practice and Regulatory Expectations and Future Perspectives

Model-Informed Drug Discovery and Development: Current Industry Good Practice and Regulatory Expectations and Future Perspectives

Publication: CPT Pharmacometrics Syst Pharmacol

Good practices around model-informed drug discovery and development (MID3) aim to improve the implementation, standardization, and

DILIsym 8A New Features for Predicting & Understand Drug-Induced Liver Injury

DILIsym 8A New Features for Predicting & Understand Drug-Induced Liver Injury

Authors: Howell BA
Software: DILIsym®

So how can DILIsym help my organization? Predict DILI liabilities beforehand and save $$$, Choose the lead candidate most likely to succeed from a DILI standpoint, Communicate with regulators on safety issues with information they have requested from others numerous times and from a platform they license (FDA) & keep patients safer.

The in vivo predictive dissolution for immediate release dosage of donepezil and danazol, BCS class IIc drugs, with the GIS and the USP II with biphasic dissolution apparatus

The in vivo predictive dissolution for immediate release dosage of donepezil and danazol, BCS class IIc drugs, with the GIS and the USP II with biphasic dissolution apparatus

Publication: J Drug Deliv Sci Technol
Software: GastroPlus®

The formulation developments and the in vivo assessment of Biopharmaceutical Classification System (BCS) class II drugs are challenging due to their low solubility and high permeability in the human gastrointestinal (GI) tract.

Dissolution Testing in Drug Product Development: Workshop Summary Report

Dissolution Testing in Drug Product Development: Workshop Summary Report

Publication: AAPS J

This publication summarizes the proceedings and key outcomes of the first day (“Day 1”) of the 3-day workshop on “Dissolution and Translational Modeling Strategies Enabling Patient-Centric Product Development.”

Physiologically Based Pharmacokinetic/ Pharmacodynamic Model for Caffeine Disposition in Pregnancy

Physiologically Based Pharmacokinetic/ Pharmacodynamic Model for Caffeine Disposition in Pregnancy

Publication: Mol Pharm
Software: GastroPlus®

Caffeine is the most consumed active stimulant. About 80% of pregnant women consume caffeine orally on daily basis. Many reports indicated consumption of >200 mg caffeine during pregnancy could increase the likelihood of miscarriage.

EDEn–Electroceutical Design Environment: Ion Channel Tissue Expression Database with Small Molecule Modulators

EDEn–Electroceutical Design Environment: Ion Channel Tissue Expression Database with Small Molecule Modulators

Publication: iScience
Software: ADMET Predictor®

The emerging field of bioelectricity has revealed numerous new roles for ion channels beyond the nervous system, which can be exploited for applications in regenerative medicine.

PBPK Absorption Modeling: Establishing the In Vitro–In Vivo Link—Industry Perspective

PBPK Absorption Modeling: Establishing the In Vitro–In Vivo Link—Industry Perspective

Publication: AAPS J
Software: GastroPlus®

The establishment of an in vitro–in vivo correlation (IVIVC) is considered the gold standard to establish in vivo relevance of a dissolution method and to utilize dissolution data in the context of regulatory bioequivalence questions...