Continuous flow of toxic and persistent compounds to the environment is a global health issue. However, assessing the toxic effects of compounds is a difficult task, because some compounds may possess a…
Development of Novel Monoamine Oxidase-B (MAO-B) Inhibitors with Reduced Blood-Brain Barrier Permeability for the Potential Management of Non-Central Nervous System (CNS) Diseases
Studies indicate that MAO-B is induced in peripheral inflammatory diseases. To target peripheral tissues using MAO-B inhibitors that don’t permeate the BBB the MAO-B selective inhibitor deprenyl was remodeled…
Simulations Plus Enters Funded Research Collaboration with Large European Consortium
Enhancements to mechanistic dermal absorption model in GastroPlus™ will target non-pharmaceutical markets
Verubecestat pharmacokinetic and exposure-response results from APECS, a phase 3 trial in prodromal alzheimer’s disease
The BACE inhibitor verubecestat (MK-8931) demonstrated cognitive and functional decline relative to placebo in a 2-year Phase 3 trial of individuals with prodromal AD (APECS; NCT01953601), along with reductions in brain volume and amyloid plaque. Disease progression modeling has demonstrated a lack of dose or exposure dependency in the clinical cognition and function endpoints (see Poster# P1-044)
Glycyrrhizin has a high likelihood to be a victim of drug-drug interactions mediated by hepatic OATP1B1/1B3
Intravenous glycyrrhizin, having anti‐inflammatory and hepatoprotective properties, is incorporated into the management of liver diseases in China.
Mechanistic Modeling of in vitro Assays to Improve in vitro/in vivo Extrapolation
Mechanistic Modeling of in vitro assays to Improve in vitro/in vivo Extrapolation using Membrane Plus
Capturing the applicability of in vitro-in silico membrane transporter data in chemical risk assessment and biomedical research
Costs, scientific and ethical concerns related to animal tests for regulatory decision-makinghave stimulated the development of alternative methods.
Incorporating Mechanistic Modeling & Simulation to Assist with Formulation Development and Regulatory Evaluations
A mechanistic, physiologically-based absorption/PK model was constructed in GastroPlus and validated across three dose levels (50, 100, and 300 mg) using in vivo data collected from tablets manufactured…
Challenges with Multi-Objective QSAR in Drug Discovery
The complexity in the drug discovery pipeline, in combination with the exponential growth of experimental and computational data, the technological achievements, and the access to large data sets, has led…
Photolytic and Photocatalytic Transformation of an Antipsychotic Drug Asenapine: Comparison of Kinetics, Identification of Transformation Products, and in silico Estimation of Their Properties
The photolytic and photocatalytic transformation of an antipsychotic drug asenapine with the use of H2O2 and TiO2 was studied. A method employing irradiation with a simulated full solar spectrum in the…
Parameter Sensitivity Analysis in GastroPlus®
This video describes how to set up a parameter sensitivity analysis (PSA) in GastroPlus.
Simulations Plus Reports Third Quarter FY2018 Financial Results
Record quarter as revenues grow 26.7%, 9MoFY18 net income up 63.8%
Board of Directors Announces Quarterly Dividend of $0.06 Per Share
Concentration Profiles of Carvedilol: A Comparison Between In Vitro Transfer Model and Dissolution Testing
The study aims to investigate the transfer behavior of the weakly basic BCS class II model drug carvedilol from the stomach to the small intestine and compare the concentration profiles of carvedilol that...
Design, Synthesis, and Evaluation of Novel L-phenylglycine Derivatives as Potential PPARγ Lead Compounds
In accordance with the structural characteristics of thiazolidinedione drugs and highly bioactive tyrosine derivatives, we tentatively designed the l-phenylglycine derivatives TM1and TM2 based on basic…
Utility of physiologically based pharmacokinetic (PBPK) modeling in oncology drug development and its accuracy: a systematic review
Physiologically based pharmacokinetic (PBPK) modeling, a mathematical modeling approach which uses a pharmacokinetic model to mimick human physiology to predict drug...
Inquiry of Literature Evidence for Induced Fit of Cytochrome P450 2C9 for Warfarin, Phenprocoumon, Flurbiprofen and Clopidogrel: A Critical Review
Cytochrome P450 oxygenases (CYP for short) are liver microsomal enzymes with a prosthetic hem(e) group that catalyze various types of hepatic biotransformation reactions including aromatic and...
Simulations Plus to Report Third Quarter 2018 Financial Results
Simulations Plus, Inc. (Nasdaq: SLP), announced today that it will report its third quarter financial results for fiscal year 2018, the period ended May 31, 2018, after the close of the financial markets on Tuesday, July 10, 2018.
Biopharmaceutical considerations in paediatrics with a view to the evaluation of orally administered drug products – a PEARRL review
In this review, the current biopharmaceutical approaches for evaluation of oral formulation performance in paediatrics are discussed.