Structure-Based Screening of Small-Molecule Interleukin-23 Inhibitors Inspired by Monoclonal Antibody Interactions

Structure-Based Screening of Small-Molecule Interleukin-23 Inhibitors Inspired by Monoclonal Antibody Interactions

Authors: Thai KM, Vu TTT, Mai QM, Le MT
Publication: Molecular Diversity
Software: ADMET Predictor®
Division: Cheminformatics

Interleukin-23 (IL-23) is a key driver of chronic inflammatory diseases, yet current therapies rely on costly monoclonal antibodies.

Solid-State Evaluation of a Newly Emerged Polymorph for Early-Stage Pharmaceutical Development

Solid-State Evaluation of a Newly Emerged Polymorph for Early-Stage Pharmaceutical Development

Publication: Mol Pharm
Software: GastroPlus®
Division: PBPK

This work presents the solid-state evaluation of a new polymorph (Form M) discovered during the early-stage pharmaceutical development of a new chemical entity GDC-6599.

Establishing Virtual Bioequivalence and Bio-related Dissolution Specifications for Naproxen Using Physiologically Based Pharmacokinetic Modeling and in vitro Biorelevant Dissolution Testing

Establishing Virtual Bioequivalence and Bio-related Dissolution Specifications for Naproxen Using Physiologically Based Pharmacokinetic Modeling and in vitro Biorelevant Dissolution Testing

Authors: Bai C, Zhang J, Xu X, Li X, Zhang T
Publication: Drug Dev Ind Pharm
Software: GastroPlus®
Division: PBPK

The aim of the present study was to assess the accuracy of the PBPK model in predicting the pharmacokinetic behavior of weakly acidic BCS class II drugs in humans through a multipronged approach of in vitro dissolution, in vivo studies, and in silico simulations.

Utilizing Metabolism-Based Structure-Activity Relationships and Biokinetic Modeling for Toxicological Evaluation: A Case Study on L-menthyl D-Lactate

Utilizing Metabolism-Based Structure-Activity Relationships and Biokinetic Modeling for Toxicological Evaluation: A Case Study on L-menthyl D-Lactate

Publication: Regul Toxicol Pharmacol
Software: GastroPlus®
Division: PBPK

Structure activity relationship (SAR) based read across uses existing toxicity data from an analog to predict the toxicity of a target chemical.

Absorption, Distribution, Metabolism, and Excretion of [14C]SHEN211, a Nonpeptidic Small-Molecule 3CLpro Inhibitor, in Rats

Absorption, Distribution, Metabolism, and Excretion of [14C]SHEN211, a Nonpeptidic Small-Molecule 3CLpro Inhibitor, in Rats

Publication: J Pharmacology Experimental Therapeutics
Software: GastroPlus®
Division: PBPK

SHEN211 is a selective 3-chymotrypsin-like protease inhibitor that can protect against severe acute respiratory syndrome coronavirus 2.

Tissue Distribution and Pharmacokinetic Characteristics of Aztreonam Based on Multi-Species PBPK Model

Tissue Distribution and Pharmacokinetic Characteristics of Aztreonam Based on Multi-Species PBPK Model

Publication: Pharmacokinetics and Pharmacodynamics
Software: GastroPlus®
Division: PBPK

As a monocyclic β-lactam antibiotic, aztreonam has regained attention recently because combining it with β-lactamase inhibitors helps fight drug-resistant bacteria.

Beyond the Linear Model: Fully Automated Concentration-QT Analysis and Reporting

Beyond the Linear Model: Fully Automated Concentration-QT Analysis and Reporting

Conference: PAGE
Software: Monolix®

Objective 1: Extend the linear model to nonlinear and delayed-effect models
Objectiv 2: Automation of data preparation, model selection, and reporting

Improvements in Data Quality Can Boost Efficiency and Reduce Development Costs: Findings from a Survey of Pharmacometric CROs

Improvements in Data Quality Can Boost Efficiency and Reduce Development Costs: Findings from a Survey of Pharmacometric CROs

Conference: PAGE

Modern drug development, which can take up to 15 years and cost as much as $11 billion USD, relies heavily on high-quality data1. Recognizing the criticality of attaining quality data that is easily convertible to analysis-ready datasets, a survey was developed to obtain baseline information on data quality and data standards, largely from a CRO perspective.

Assessing Whether Breastfeeding is Safe After an Intraoral Injection of 68 mg of Articaine

Assessing Whether Breastfeeding is Safe After an Intraoral Injection of 68 mg of Articaine

Publication: J Am Dent Assoc
Software: GastroPlus®
Division: PBPK

Limited information is available about the transfer of articaine into breast milk and the associated risks to breastfed infants.