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
A Review of Current Methods for Food Effect Prediction During Drug Development
Ingestion of oral dosage forms with food can drastically change drug pharmacokinetic parameters to consumption in fasted state. Accurate prediction...
Partition coefficient and diffusion coefficient determinations of 50 compounds in human intact skin, isolated skin layers and isolated stratum corneum lipids
A standard protocol was used to determine partition (K) and diffusion (D) coefficients in dermatomed human skin and isolated human skin layers...
Toxicity and Structural Activity Relationship of Persistent Organic Pollutants
Persistent Organic Pollutants (POPs) are organic compounds of mainly anthropogenic origin posing a huge threat to human health and the ecosystem.
Simulations Plus to Present at the LD 500 Virtual Conference
Simulations Plus, Inc. (Nasdaq: SLP), the premier provider of simulation and modeling software and consulting services for pharmaceutical...
Inter-compound and Intra-compound Global Sensitivity Analysis of a Physiological Model for Pulmonary Absorption of Inhaled Compounds
In recent years, global sensitivity analysis (GSA) has gained interest in physiologically based pharmacokinetics (PBPK) modelling and simulation from...
Impact of differential particle size of fenofibrate nanosuspensions on biopharmaceutical performance using physiologically based absorption modeling in rats
Particle size and its distribution governs oral biopharmaceutical performance of poorly water-soluble active pharmaceutical ingredients (APIs).
Pharmacokinetics of Intravenous, Intramuscular, Oral, and Transdermal Administration of Flunixin Meglumine in Pre-wean Piglets
Castration and tail-docking of pre-wean piglets are common procedures that are known to induce pain and would benefit from pain mitigation.