Newly designed pyrrolo[2,1-c][1,4]benzodiazepines tricyclic skeleton has shown potential clusters of cannabinoid receptors CB1/CB2 selective ligands.
Quantitative Systems Toxicology Modeling Using DILIsym Suggests That Drug-Induced Liver Injury Can Be Enhanced by Co-administered Drugs and Mitigated by Mitochondrial Biogenesis
Drug-induced liver injury (DILI) can be enhanced by polypharmacy if co-administered drugs induce toxicity via mechanisms that have overlapping pathways.
GastroPlus® Tutorial: Phase 2 Video 1: How to create a new PBPK physiology in GastroPlus
This video will focus on how to create a new PBPK physiology in GastroPlus.
GastroPlus® Tutorial: Phase 2 Video 2: How to set up metabolic clearance using in vitro data
In this video we will show you how to set up metabolic clearance using in vitro data.
MonolixSuite: What’s new in 2020?
MonolixSuite’s latest release (2020) introduces a new application for clinical trial simulations, with a user-friendly interface and interactive plots.
Successful Extrapolation of Paracetamol Exposure from Adults to Infants After Oral Administration of a Pediatric Aqueous Suspension Is Highly Dependent on the Study Dosing Conditions
Extending licensed drug use to the pediatric population has become an essential part of the drug development process.
Delivering on the promise of AI-driven drug discovery with ADMET Predictor® 10 (APX). Background and applications examples
Dr. Marvin Waldman will present a brief background behind generative chemistry applications and their relevance to ADMET Predictor® (APX).
Application of PBPK Modeling and Simulation for Regulatory Decision Making and Its Impact on US Prescribing Information: An Update on the 2018-2019 Submissions to the US FDA’s Office of Clinical Pharmacology
Since 2016, results from physiologically based pharmacokinetic (PBPK) analyses have been routinely found in the clinical pharmacology section of regulatory.
Simulations Plus Extends Partnership with Large Pharmaceutical Company to Further Expand High-Throughput PBPK Capabilities in ADMET Predictor®
Improvements Establish HTPK Simulation Module as Key Gateway for Lead Compound Selection
Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective
The effect of food on pharmacokinetic properties of drugs is a commonly observed occurrence affecting about 40% of orally administered drugs.
Using chemical structure information to develop predictive models for in vitro toxicokinetic parameters to inform high-throughput risk-assessment
The toxicokinetic (TK) parameters fraction of the chemical unbound to plasma proteins and metabolic clearance are critical for relating exposure and internal...
Potential Modulation of Human NAD[P]H-Quinone Oxidoreductase 1 (NQO1) by EGCG and Its Metabolites—A Systematic Computational Study
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.