At high doses, green tea extracts and green tea’s major active constituent, (−)-epigallocatechin gallate (EGCG), despite their generally perceived...
A Potent and Selective Human Prostaglandin F (FP) Receptor Antagonist (BAY-6672) for the Treatment of Idiopathic Pulmonary Fibrosis (IPF)
Idiopathic pulmonary fibrosis (IPF) is a rare and devastating chronic lung disease of unknown etiology.
Part 2 – Utilization of PBBM/PBPK Models for Building a Safe Space with Dr. Sandra Suarez-Sharp
The GastroPlus User Group and Dr. Sandra Suarez-Sharp follow up on the questions asked during Part 1 of, "Utilization of PBBM/PBPK Models for Building a Safe Space and Regulatory Applications in Support of Drug Product Quality."
Simulations Plus Partners with Large Pharmaceutical Company to Validate AI-Driven Drug Design Capabilities in ADMET Predictor®
New AIDD Module applied to active therapeutic program to provide lead optimization support
In Vitro Biopredictive Methods: A Workshop Summary Report
This workshop report summarizes the proceedings of Day 1 of a three-day workshop on “Current State and Future Expectations of Translational Modeling...
Qualification and application of liquid chromatography-quadrupole time-offlight mass spectrometric method for the determination of carisbamate in rat plasma and prediction of its human pharmacokinetics using physiologically based pharmacokinetic modeling
Carisbamate is an antiepileptic drug and it also has broad neuroprotective activity and anticonvulsant reaction.
ADMET Predictor® 10 (APX): Multi-threaded property prediction, new transporter models, AI-driven drug discovery and more
Eric Jamois, Director of Business Development, will host a webinar on Wednesday, September 16th to introduce the new ADMET Predictor® 10 (APX) release.
Antidiabetic effects and safety profile of chitosan delivery systems loaded with new xanthine-thiazolidine-4-one derivatives: in vivo studies
Based on important biological effects associated with xanthine and thiazolidine-4-one moieties, especially hypoglycemic and antioxidant, new xanthine...
Prediction of fasted and fed bioequivalence for immediate release drug products using physiologically based biopharmaceutics modeling (PBBM)
Bioequivalence studies are an integral part of clinical pharmacology strategy for drug development.
Simulations Plus Releases ADMET Predictor® Version 10.0 (APX)
New artificial intelligence-driven drug design functionality offers scientists unrivaled methods for lead optimization
A combined in vitro in-silico approach to predict the oral bioavailability of borderline BCS Class II/IV weak base Albendazole and its main metabolite Albendazole Sulfoxide
The aim of this study was to use a combined in vitro-in silico approach to develop a physiologically based pharmacokinetic model (PBPK) that predicts...
Inductive effects in amino acids and peptides: Ionization constants and tryptophan fluorescence
Although inductive effects in organic compounds are known to influence chemical properties such as ionization constants, their specific contribution...
Computational Approaches in Preclinical Studies on Drug Discovery and Development
Because undesirable pharmacokinetics and toxicity are significant reasons for the failure of drug development in the costly late stage...
Exposure-Response Modeling From the CLARITY Trial of Pimavanserin for Adjunctive Treatment of Major Depressive Disorder
Pimavanserin displays selective inverse agonist and antagonist activity at 5-hydroxytryptamine-2A (5-HT2A) receptors with lesser activity at 5-HT2C receptors, and no appreciable activity at adrenergic, dopaminergic, histaminergic, or muscarinic receptors.
3,3′-Dichlorobiphenyl Is Metabolized to a Complex Mixture of Oxidative Metabolites, Including Novel Methoxylated Metabolites, by HepG2 Cells
3,3′-Dichlorobiphenyl (PCB 11) is a byproduct of industrial processes and detected in environmental samples.
Utilization of PBBM/PBPK Models for Building a Safe Space and Regulatory Applications in Support of Drug Product Quality
Drug products undergo many chemistry, manufacturing, and control (CMC) changes throughout their lifecycle, making the overall process costly and time consuming.
September 2020 GastroPlus Newsletter
It's no secret that all of us are spending more time online than ever before, especially now with most of us at home.
Theoretical evaluation of EGFR kinase inhibition and toxicity of di-indol-3-yl disulphides with anti-cancer potency
Research aimed at developing potent di-indol-3-yl disulphides for cancer diseases makes use of various theoretical techniques to evaluate the drug-likeness parameters and the mode of action.
FDA Review of Approved Drug, Ubrogepant, Included DILIsym Simulations
FDA Review Document and New Toxicological Sciences Publication Detail Results