Long-term use of warfarin has been shown to be associated with a reduced risk of prostate cancer. Warfarin belongs to the vitamin K antagonist class of anticoagulants, which...
Identification, characterization and in silico ADMET prediction of Roflumilast degradation products
The present study reports the degradation behavior of roflumilast (RFL), a new drug developed for the treatment of chronic obstructive pulmonary disease.
Progress in Prediction and Interpretation of Clinically Relevant Metabolic Drug-Drug Interactions: a Minireview Illustrating Recent Developments and Current Opportunities
This review gives a perspective on the current “state of the art” in metabolic drug-drug interaction (DDI) prediction.
Population Pharmacokinetic Modeling of Armodafinil and Its Major Metabolites
Population pharmacokinetic models for armodafinil and its major metabolites, R-modafinil acid and modafinil sulfone, were developed, and selected covariates were investigated.
Allosteric inhibition of topoisomerase I by pinostrobin: Molecular docking, spectroscopic and topoisomerase I activity studies
Cancer, the second major cause of mortality trailing the cardiovascular diseases, is a multifactorial heterogeneous disease and growing public health problem worldwide.
A Staged Approach to Pharmaceutical Dissolution Testing
The development of a meaningful dissolution procedure for drug products at different development stages has been a consistent challenge to the pharmaceutical industry.
Report from EMA Workshop on Qualification and Reporting of Physiologically‐based Pharmacokinetic (PBPK) Modelling and Simulation
On Nov 21, 2016, the European Medicines Agency (EMA) hosted a workshop to discuss its draft guideline on qualification and reporting of physiologically based pharmacokinetic (PBPK) analysis.
The role of quantitative systems pharmacology modeling in the prediction and explanation of idiosyncratic drug-induced liver injury
Idiosyncratic drug-induced liver injury (iDILI) is a serious concern in drug development.
ADMET Predictor 8.1: Efficiently handle LARGE data sets
Building off of the successful launch of the redesigned ADMET Predictor 8.0, many substantial enhancements have been made throughout version 8.1 to improve performance.
Simulations Plus Reports First Quarter FY2017 Financial Results
Consolidated net earnings up 23.1% on 12% revenue increase
Virtual population pharmacokinetic using physiologically based pharmacokinetic model for evaluating bioequivalence of oral lacidipine formulations in dogs
The aim of the present study was to investigate virtual population pharmacokinetic using physiologically based pharmacokinetic (PBPK) model for evaluating bioequivalence of oral lacidipine formulations in dogs.
Discovery of N-(pyridin-4-yl)-1,5-naphthyridin-2-amines as potential tau pathology PET tracers for Alzheimer’s Disease.
A mini-HTS on 4000 compounds selected using 2D fragment-based similarity and 3D pharmacophoric and shape similarity to known selective tau aggregate binders identified...
Exploring and validating physicochemical properties of mangiferin through GastroPlus® software
Mangiferin (Mgf), a promising therapeutic polyphenol, exhibits poor oral bioavailability.
Simulations Plus Releases ADMET Predictor™ Version 8.1
Update streamlines key processes to efficiently handle large data sets
Indole-fused benzooxazepines: a new structural class of anticancer agents
A new series of compounds (1a–16a) bearing indole-fused benzooxazepine wassynthesized, characterized and evaluated for anticancer activity.
Simulations Plus Sets Date for 1st Quarter 2017 Earnings Release and Conference Call
Conference Call to be on Monday, January 9, 2017, at 4:15 PM ET
IMI – oral biopharmaceutics tools project – evaluation of bottom-up PBPK prediction success part 1: Characterisation of the OrBiTo database of compounds
Predicting oral bioavailability (Foral) is of importance for estimating systemic exposure of orally administered drugs.
IMI – Oral biopharmaceutics tools project – Evaluation of bottom-up PBPK prediction success part 3: Identifying gaps in system parameters by analysing In Silico performance across different compound classes
Three Physiologically Based Pharmacokinetic software packages (GI-Sim, Simcyp® Simulator, and GastroPlus™) were evaluated as part of the Innovative Medicine Initiative Oral Biopharmaceutics Tools...