Prediction of physicochemical and pharmacokinetic properties of botanical constituents by computational models

Prediction of physicochemical and pharmacokinetic properties of botanical constituents by computational models

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

Botanicals contain complex mixtures of chemicals most of which lack pharmacokinetic data in humans.

Effect of Food Composition on the PK of Isoniazid Quantitatively Explained Using Physiologically Based Biopharmaceutics Modeling

Effect of Food Composition on the PK of Isoniazid Quantitatively Explained Using Physiologically Based Biopharmaceutics Modeling

Division: PBPK

This work shows the utilization of a physiologically based biopharmaceutics model (PBBM) to mechanistically explain the impact of diverse food types on the pharmacokinetics (PK) of isoniazid (INH) and acetyl-isoniazid (Ac-INH).

Development of Mechanistic In Vitro-In Vivo Extrapolation to Support Bioequivalence Assessment of Long-Acting Injectables

Development of Mechanistic In Vitro-In Vivo Extrapolation to Support Bioequivalence Assessment of Long-Acting Injectables

Publication: Pharmaceutics
Software: GastroPlus®
Division: PBPK

Long-acting injectable (LAI) formulations provide sustained drug release over an extended period ranging from weeks to several months to improve efficacy, safety, and compliance.

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.