Validation of a Caco-2 microfluidic Chip model for predicting intestinal absorption of BCS Class I-IV drugs

Validation of a Caco-2 microfluidic Chip model for predicting intestinal absorption of BCS Class I-IV drugs

Publication: Int J Pharm
Software: GastroPlus®

Oral delivery is considered the most patient preferred route of drug administration, however, the drug must be sufficiently soluble and permeable to successfully formulate an oral formulation.

Drug-like Properties of Serial Phenanthroindolizidine Alkaloid Compounds: ADMET Characteristic Prediction and Validation

Drug-like Properties of Serial Phenanthroindolizidine Alkaloid Compounds: ADMET Characteristic Prediction and Validation

Publication: Acta Materia Medica
Software: ADMET Predictor®
Division: Cheminformatics

Phenanthroindolizidine alkaloids (PAs) are a series of compounds that have been isolated from traditional herbal medicines and have significant therapeutic potential, such as anti-arthritic, anti-viral, anti-inflammatory, and anti-glioma effects in vitro and in vivo.

A Novel Stability-Indicating RP-HPLC Method for the Simultaneous Estimation and In Vitro and In vivo Evaluation: Curcumin and Naringin Co-amorphous System

A Novel Stability-Indicating RP-HPLC Method for the Simultaneous Estimation and In Vitro and In vivo Evaluation: Curcumin and Naringin Co-amorphous System

Publication: Food Anal Methods
Software: GastroPlus®

Curcumin (CUR) is a phytochemical widely used in food industries, cosmetics, and in the treatment of various ailments. It is a polyphenol derived from turmeric and is often considered the golden spice.

Screening inhibitors against the Ef-Tu of Fusobacterium nucleatum: a docking, ADMET and PBPK assessment study

Screening inhibitors against the Ef-Tu of Fusobacterium nucleatum: a docking, ADMET and PBPK assessment study

Publication: Mol Divers
Software: GastroPlus®

The oral pathogen Fusobacterium nucleatum has recently been associated with an elevated risk of colorectal cancer (CRC), endometrial metastasis, chemoresistance, inflammation, metastasis, and DNA damage, along with several other diseases.

Physiologically Based Pharmacokinetic Modeling for Confirming the Role of CYP3A1/2 and P-glycoprotein in Detoxification Mechanism Between Glycyrrhizic Acid and aconitine in Rats

Physiologically Based Pharmacokinetic Modeling for Confirming the Role of CYP3A1/2 and P-glycoprotein in Detoxification Mechanism Between Glycyrrhizic Acid and aconitine in Rats

Publication: J Appl Toxicol
Software: GastroPlus®
Division: PBPK

Fuzi, an effective common herb, is often combined with Gancao to treat disease in clinical practice with enhancing its efficacy and alleviating its toxicity.

Regulatory Requirements and Applications of Physiologically Based Pharmacokinetic Models

Regulatory Requirements and Applications of Physiologically Based Pharmacokinetic Models

Publication: ADME Processes in Pharmaceutical Sciences

Physiologically based pharmacokinetic (PBPK) models have become a key tool to reduce the uncertainty and assure the best benefit-risk decisions in a model-informed drug discovery and development process.

Pharmacokinetic Simulation Study: Exploring the Impact of Clinical Parameters on Lamotrigine for Different Patient Populations with Implications for Liver Function Assessment and Therapeutic Drug Monitoring

Pharmacokinetic Simulation Study: Exploring the Impact of Clinical Parameters on Lamotrigine for Different Patient Populations with Implications for Liver Function Assessment and Therapeutic Drug Monitoring

Publication: Scientia Pharmaceutica
Software: DILIsym®, GastroPlus®

Lamotrigine, widely used for managing epilepsy and bipolar disorder, carries potential side effects, including severe anticonvulsant hypersensitivity syndrome (AHS) or drug rash with eosinophilia and systemic symptoms (DRESS), which may lead to hepatotoxicity.

Physiologically Based Pharmacokinetic Absorption Model for Pexidartinib to Evaluate the Impact of Meal Contents and Intake Timing on Drug Exposure

Physiologically Based Pharmacokinetic Absorption Model for Pexidartinib to Evaluate the Impact of Meal Contents and Intake Timing on Drug Exposure

Publication: Clinical Pharmacology in Drug Development

Pexidartinib is a systemic treatment for patients with tenosynovial giant cell tumor not amenable to surgery.

Predicting Human Dermal Drug Concentrations Using PBPK Modeling and Simulation: Clobetasol Propionate Case Study

Predicting Human Dermal Drug Concentrations Using PBPK Modeling and Simulation: Clobetasol Propionate Case Study

Publication: Novel Approaches for Cutaneous Pharmacokinetics
Software: GastroPlus®

Quantitative in silico tools may be leveraged to mechanistically predict the dermato-pharmacokinetics of compounds delivered from topical and transdermal formulations by integrating systems of rate equations...

Accelerated and Biopredictive In Vitro Release Testing Strategy for Single Agent and Combination Long-Acting Injectables

Accelerated and Biopredictive In Vitro Release Testing Strategy for Single Agent and Combination Long-Acting Injectables

Publication: J Pharm Sci
Software: GastroPlus®

The purpose of this study was to develop an in vitro release testing (IVRT) strategy to predict the pre-clinical performance of single agent and combination long acting injectable (LAI) suspension products.

Physiologically Based Pharmacokinetic (PBPK) Model Predictions of Disease Mediated Changes in Drug Disposition in Patients with Nonalcoholic Fatty Liver Disease (NAFLD)

Physiologically Based Pharmacokinetic (PBPK) Model Predictions of Disease Mediated Changes in Drug Disposition in Patients with Nonalcoholic Fatty Liver Disease (NAFLD)

Publication: Pharm Res
Software: GastroPlus®

This study was designed to verify a virtual population representing patients with nonalcoholic fatty liver disease (NAFLD) to support the implementation of a physiologically based pharmacokinetic (PBPK) modeling...

The AI‑driven Drug Design (AIDD) platform: an interactive multi‑parameter optimization system integrating molecular evolution with physiologically based pharmacokinetic simulations

The AI‑driven Drug Design (AIDD) platform: an interactive multi‑parameter optimization system integrating molecular evolution with physiologically based pharmacokinetic simulations

Publication: Journal of Computer-Aided Molecular Design

Computer-aided drug design has advanced rapidly in recent years, and multiple instances of in silico designed molecules advancing to the clinic have demonstrated the contribution of this field to medicine.