Hydroxychloroquine (HCQ) was repurposed for COVID-19 treatment. Subtherapeutic HCQ lung levels and cardiac toxicity of oral HCQ were overcome...
PB2205: A Mechanistic Absorption and Pharmacokinetic Model of Covalent BTK Inhibitor TL-895: Influence of Food and Acid Reducing Agents
L-895 is a highly potent, orally available, selective, covalent inhibitor of Bruton tyrosine kinase (BTK) and bone marrow tyrosine kinase X-linked (BMX)...
Quantitative Systems Toxicology identifies independent mechanisms for hepatotoxicity and bilirubin elevations due to AKR1C3 Inhibitor BAY1128688
BAY1128688 is a selective inhibitor of AKR1C3, investigated recently in a trial that was prematurely terminated due to drug-induced liver injury. These...
Assessing Liver Effects of Cannabidiol and Valproate Alone and in Combination Using Quantitative Systems Toxicology
In clinical trials of cannabidiol (CBD) for the treatment of seizures in patients with Dravet syndrome, Lennox-Gastaut syndrome, and tuberous sclerosis complex, elevations in serum alanine...
Discovering Negative Allosteric Modulators of Frizzled 4 Receptor Using the NPASS Database
The class F G protein-coupled receptors (GPCRs) consists of the Smoothened receptor (SMO) and 10 Frizzled receptors (FZDs).
The Organophosphate Esters Used as Flame Retardants and Plasticizers Affect H295R Adrenal Cell Phenotypes and Functions
Adverse effects associated with exposure to brominated flame retardants have led to regulations for their use and their replacement with organophosphate esters (OPEs).
In Silico Modeling Approaches Coupled with In Vitro Characterization in Predicting In Vivo Performance of Drug Delivery System Formulations
Optimization of the in vivo performance of dosage forms in humans is essential in developing not only conventional formulations but also drug delivery system (DDS) formulations.
Physiologically based pharmacokinetic modeling to assess the drug-drug interactions of anaprazole with clarithromycin and amoxicillin in patients undergoing eradication therapy of H. pylori infection
This study aimed to assess the pharmacokinetic (PK) interactions of anaprazole, clarithromycin, and amoxicillin using physiologically based pharmacokinetic (PBPK) models.
Comparison and summary of in silico prediction tools for CYP450-mediated drug metabolism
The cytochrome P450 (CYP450) enzyme system is responsible for the metabolism of more than two-thirds of xenobiotics.
Biopharmaceutics Risk Assessment—Connecting Critical Bioavailability Attributes with In Vitro, In Vivo Properties and Physiologically Based Biopharmaceutics Modeling to Enable Generic Regulatory Submissions
Quality risk assessment following ICH Q9 principles is an important activity to ensure optimal clinical efficacy and safety of a drug product.
Progressive tools and critical strategies for development of best fit PBPK model aiming better in vitro–in vivo correlation
Nowadays, conducting discriminative dissolution experiments employing physiologically based pharmacokinetic modeling (PBPK)...
Power of integrating PBPK with PBBM (PBPK-BM): a single model predicting food effect, gender impact, drug-drug interactions and bioequivalence in fasting & fed conditions
Over the past few years, PBPK and PBBM modelling have proven their significance in drug development. PBPK modelling is traditionally used to predict..
Development of Successful Physiologically-Based Pharmacokinetic (PBPK) Models
Physiologically-based pharmacokinetic (PBPK) modeling is a strong mathematical tool that integrates body physiology, drug physicochemical properties...
In silico modeling-based new alternative methods to predict drug and herb-induced liver injury: A review
New approach methods (NAMs) have been developed to predict a wide range of toxicities through innovative technologies.
Teaching of Drug Disposition using Physiologically Based Pharmacokinetic Modeling Software: GastroPlus as an Educational Tool
Physiologically based pharmacokinetic (PBPK) modeling requires understanding of chemical, physiologic, and pharmacokinetic principles.
Structural insights into the interaction of three Y-shaped ligands with PI3Kα
Class IA phosphoinositide 3-kinase alpha (PI3Kα) is an important drug target because it is one of the most frequently mutated proteins in human cancers.
Development of Extended-Release Formulations Containing Cyclobenzaprine Based on Physiologically Based Biopharmaceutics Modeling and Bioequivalence Safe Space
The use of physiologically based biopharmaceutics modeling (PBBM) and bioequivalence safe space is increasingly common for immediate-release drug products.
Application of physiologically based pharmacokinetics modeling in the research of small-molecule targeted anti-cancer drugs
Physiologically based pharmacokinetics (PBPK) models are increasingly used in the drug research and development, especially in anti-cancer drugs.
Advanced In Vivo Prediction by Introducing Biphasic Dissolution Data into PBPK Models
Coupling biorelevant in vitro dissolution with in silico physiological-based pharmacokinetic (PBPK) tools represents a promising method to describe...
Best Practices for Data Visualisation
Best Practices for Data Visualisation (for the Royal Statistical Society) contains insights, advice, and examples (with code) to make data outputs more impactful.