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.
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...