Enhancing Solubility in VHL-Based PROTACs: Optimized USP7 Degraders for Improved Developability

Enhancing Solubility in VHL-Based PROTACs: Optimized USP7 Degraders for Improved Developability

Publication: Journal of Medicinal Chemistry
Software: ADMET Predictor®
Division: Cheminformatics

Limited aqueous solubility, high total polar surface area (TPSA), and high hydrogen-bond donor (HBD) counts have hampered the clinical development of VHL-based proteolysis-targeting chimeras (PROTACs).

Physiologically Based Pharmacokinetic Modeling and Mechanistic In Vitro-In Vivo Correlation for Long-Acting Injectable Suspension

Physiologically Based Pharmacokinetic Modeling and Mechanistic In Vitro-In Vivo Correlation for Long-Acting Injectable Suspension

Conference: CRS
Division: PBPK

Long acting injectable (LAI) suspensions demonstrate extended release by forming depots at the injection site (subcutaneous or intramuscular), from which poorly soluble drugs are slowly dissolved and absorbed into the systemic circulation

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.