Effect of Data Quality and Data Quantity on the Estimation of Intrinsic Solubility: Analysis Based on a Single-Source Data Set

Effect of Data Quality and Data Quantity on the Estimation of Intrinsic Solubility: Analysis Based on a Single-Source Data Set

Publication: Mol Pharm
Software: ADMET Predictor®
Division: Cheminformatics

Aqueous solubility is one of the most important physicochemical properties of drug molecules and a major driving force for oral drug absorption.

AI for Pharmacological Modeling

AI for Pharmacological Modeling

Authors: Lu J, Sun T

Pharmacological modeling plays a key role in drug development by guiding decisions on dosing to optimize safety and efficacy and ultimately streamlining the path to successful therapeutic interventions.

CFD-PK model for nasal suspension sprays: Validation with human adult in vivo data for triamcinolone acetonide

CFD-PK model for nasal suspension sprays: Validation with human adult in vivo data for triamcinolone acetonide

Publication: Intl J Pharm
Software: GastroPlus®
Division: PBPK

The objectives of this study were to expand and implement a Computational Fluid Dynamics (CFD)-Dissolution, Absorption and Clearance (DAC)-Pharmacokinetics (PK) multi-physics modeling framework for simulating the transport of suspension-based nasal corticosteroid sprays.

Application of Virtual Drug Study to New Drug Research and Development: Challenges and Opportunity

Application of Virtual Drug Study to New Drug Research and Development: Challenges and Opportunity

Authors: Li X, Liu S, Liu D, Yu M, Wu X, Wang H
Publication: Clin Pharmacokinet
Software: GastroPlus®
Division: PBPK

In recent years, virtual drug study, as an emerging research strategy, has become increasingly important in guiding and promoting new drug research and development.

PBPK Modeling of Lamotrigine and Efavirenz during Pregnancy: Implications for Personalized Dosing and Drug-Drug Interaction Management

PBPK Modeling of Lamotrigine and Efavirenz during Pregnancy: Implications for Personalized Dosing and Drug-Drug Interaction Management

Publication: Pharmaceutics
Software: GastroPlus®
Division: PBPK

This study aimed to model the pharmacokinetics of lamotrigine (LTG) and efavirenz (EFV) in pregnant women using physiologically based pharmacokinetic (PBPK) and pregnancy-specific PBPK (p-PBPK) models.

Understanding the mechanisms of food effect on omaveloxolone pharmacokinetics through physiologically based biopharmaceutics modeling

Understanding the mechanisms of food effect on omaveloxolone pharmacokinetics through physiologically based biopharmaceutics modeling

Publication: CPT Pharmacometrics Syst Pharmacol
Software: GastroPlus®
Division: PBPK

Omaveloxolone is a nuclear factor (erythroid-derived 2)-like 2 activator approved in the United States and the European Union for the treatment of patients with Friedreich ataxia aged ≥16 years, with a recommended dosage of 150 mg orally once daily on an empty stomach.

A Semi-Mechanistic Physiologically Based Biopharmaceutics Model to Describe Complex and Saturable Absorption of Metformin: Justification of Dissolution Specifications for Extended Release Formulation

A Semi-Mechanistic Physiologically Based Biopharmaceutics Model to Describe Complex and Saturable Absorption of Metformin: Justification of Dissolution Specifications for Extended Release Formulation

Publication: AAPS PharmSciTech
Software: GastroPlus®
Division: PBPK

Physiologically based pharmacokinetic (PBPK) or physiologically based biopharmaceutics models (PBBM) demonstrated plethora of applications in both new drugs and generic product development.

Novel omeprazole delayed release orally disintegrating tablets for enhanced patient compliance: a case of model informed formulation development

Novel omeprazole delayed release orally disintegrating tablets for enhanced patient compliance: a case of model informed formulation development

Publication: Xenobiotica
Software: GastroPlus®
Division: PBPK

The advanced in silico simulation tools, such as physiologically based biopharmaceutics models (PBBM) or physiologically based pharmacokinetic models (PBPK), play critical role in model informed formulation development.

Design and Evaluation of 3-Phenyloxetane Derivative Agonists of the Glucagon-Like Peptide-1 Receptor

Design and Evaluation of 3-Phenyloxetane Derivative Agonists of the Glucagon-Like Peptide-1 Receptor

Publication: J Med Chem
Software: GastroPlus®
Division: PBPK

Various small molecule GLP1R agonists have been developed and tested for treating type 2 diabetes (T2DM) and obesity.