The challenges of modern medicinal chemistry increase with the complexity of the chemical compounds studied.
Physiologically Based Pharmacokinetic Modeling of Hydroxyurea: Implications for Dose Adjustment in Patients with Renal Insufficiency
Hydroxyurea is widely used in the management of sickle cell anemia.
Pharmacomicrobiomics
Oral medications encounter gut commensal microbes that participate directly and indirectly in drug effects through metabolism, interactions with drug metabolites, or production of substrates that compete with drugs for drug-metabolizing enzymes, consequently influencing drug pharmacokinetics.
Becoming a Better Scientist with AI: How Tools Like GastroPlus X.2 and GastroPlusGPT Support Modelers
Learn how AI-powered tools--specifically GastroPlusGPT--can help physiologically based pharmacokinetic (PBPK) modelers work more efficiently, focus on deeper analysis, and ultimately be better scientists.
Introducing GastroPlus X.2: AI, Automation, Insights & More
Get a first look at game-changing new functionality that will revolutionize your PBPK/PBBM modeling.
Physiologically Based Pharmacokinetic Modeling of Efavirenz Nanoparticles: from Animal Model to Human Extrapolation
The present work aims to establish a formulation-specific, physiologically based pharmacokinetic (PBPK) model for efavirenz (EFV) nanocrystals that have shown increased dissolution and were produced ...
Permeability Enhancer Incorporated Oral Nanosuspension of ARV-825 PROTAC for Glioblastoma Treatment
Glioblastoma(GBM) is an aggressive brain tumor with dismal prognosis, necessitating innovative therapeutic strategies.
Indirect Modeling of Post-Prandial Intestinal Lymphatic Uptake of Halofantrine Using PBPK Approaches: Limitations and Implications
Despite the recognized importance and distinctive characteristics of the intestinal lymphatic pathway in drug absorption, its pharmacokinetic modeling remains largely unexplored.
Innovative Triamcinolone Acetonide Microsuspension for Non-Invasive Ocular Management of Inflammation
Enhancing the bioavailability of insoluble active agents in the eye through topical administration is a key focus in formulation science.
Physiologically Based Pharmacokinetic Modeling and Dose Optimization of Linezolid in Pediatric Patients With Renal Impairment
Linezolid (LZD), a commonly used antimicrobial agent in clinical practice, has not undergone adequate pharmacokinetic (PK) assessment in pediatric populations with renal impairment (RI).
Differential Cannabinoid-Like Effects, Receptor Affinity and Physiologically Based Pharmacokinetics of the Synthetic Cannabinoids 4F-MDMB-BINACA, 4F-MDMB-BICA and 5F-MDMB-PICA in Mice: A Comparative Study
Synthetic cannabinoid receptor agonists (SCRAs) 4F-MDMB-BINACA, 4F-MDMB-BICA, and 5F-MDMB-PICA share a “tail” group but differ in indazole/indole cores and N-fluoroalkyl chain lengths (C4 vs. C5).
A Framework for Computing TK-equivalence Using a Large Number of Environmental Compounds
The growing imperative to minimize animal testing has driven the adoption of New approach methodologies (NAMs), including read-across (RAx) methodologies.
Basics of PBPK Modelling and Introduction to GastroPlus® X & its integration with AI
Overview of Mechanistic Processes in GastroPlus®
In Vivo Pharmacodynamic and Pharmacokinetic Assessment of Cannabidiol-loaded Camel Milk Exosomes in Doxorubicin-Resistant Triple-Negative Breast Cancer Xenografts
Cannabidiol (CBD) suffers from poor aqueous solubility and extensive first-pass metabolism, which significantly limits its oral bioavailability.
Can you spare 25mg? Optimizing Benchwork and Computational Approaches to Assess CMC Success
Drug discovery scientists often believe gram scale quantities of API are required to determine CMC properties like solubility, oral absorption, salt selection, and formulation strategy.
QSP: Strengthening First in Human Dose Selection for Immunotherapy
Selecting the optimal first-in-human (FIH) dose is one of the most challenging steps in drug development.
GastroPlus®X.2 Product Brochure
GastroPlus X.2 is a mechanistically based simulation software package that simulates intravenous and oral absorption, pharmacokinetics, drug-drug interactions and pharmacodynamics in humans and animals.
Establishing Clinically Relevant Dissolution Specifications for Prodrug Bioequivalence Risk Assessment: Integration of a Dissolution/Permeation System with Physiologically Based Biopharmaceutics Modeling in Abiraterone Acetate
Prodrugs with enzymatic activation requirements, such as the weakly basic biopharmaceutical classification system (BCS) class IV compound...
The EuroSAMPL1 pKa Blind Prediction and Reproducible Research Data Management Challenge
The development and testing of methods in computational chemistry for the prediction of physicochemical properties is by now a mature form of scientific research, with a number of different methods ranging from molecular mechanics simulations, over quantum calculations, to empirical and machine learning models.
QSP Modeling: Optimizing Therapy Efficacy in a Heterogeneous SLE Population
Despite systemic lupus erythematosus (SLE) clinical trials being conducted for over half a century, there are only two biologic therapies that are approved by the FDA to treat SLE: belimumab and anifrolumab.