To build in silico models based on molecular structure that estimate the rate of passive diffusion into and out of the cell membrane and to combine those estimates with a cellular simulation of Caco-2...
Modeling of Cilostazol absorption and pharmacokinetics in Beagle Dogs and design of in-vitro dissolution experiment to model the in-vivo absorption
The purpose of this study was to evaluate the in-vitro/in-vivo (IVIV) correlationfor a Class II compound and to design an in-vitro dissolution experiment that improves this IVIV correlation by taking...
Development of a Physiologically Based Pharmacokinetic Model for Raltegravir and Prediction of its Interactions with Rifampicin
Raltegravir (MK-0518; Isentress™), the HIV-1 integrase strand transfer inhibitor is approved for HIV-1 therapy in combination with other antiretroviral agents.
Simulations Plus Reports FY2016 and Fourth Quarter FY2016 Financial Results
Full Fiscal Year Pharmaceutical Software and Services Up 9.1%;
Earnings per share $0.29, up 27.5% over prior year
Synthesis and structure-activity relationship study of tacrine-based pyrano[2,3-c]pyrazoles targeting AChE/BuChE and 15-LOX
A series of tacrine-based pyrazolo[4′,3′:5,6]pyrano[2,3-b]quinolines and related compounds were designed and synthesized for targeting AChE, BuChE and 15-LOX enzymes in the field of Alzheimer's disease therapy.
Physiologically Based Pharmacokinetic (PBPK) Modeling of Pharmaceutical Nanoparticles
With the great interests in the discovery and development of drug products containing nanoparticles, there is a great demand of quantitative tools for assessing quality, safety, and efficacy of these products.
Simulations Plus Sets Date for 4th Quarter and Fiscal Year 2016 Earnings Release and Conference Call
Conference Call to be on Friday, November 11, at 4:15 PM ET
Looking beyond a few hard cut-offs in assessing ADMET Risk™
Drug discovery and development is a multi-objective problem.
Applying GastroPlus™ for Extensions of Biowaivers for BCS Class II Compounds
GastroPlus™ is a mechanistically based simulation software package that predicts absorption, pharmacokinetics, and pharmacodynamics in humans and animals.
The Prediction of the Relative Importance of CYP3A/P-gp to the Non-linear Intestinal Absorption of Drugs by Advanced Compartmental Absorption and Transit (ACAT) Model
Intestinal CYP3A and P-glycoprotein (P-gp) decrease the intestinal absorption of substrate drugs. Since substrate specificity of CYP3A often overlaps that of P-gp, and estimation of their saturability in the...
Using Physiologically Based Pharmacokinetic (PBPK) Modeling to Evaluate the Impact of Pharmaceutical Excipients on Oral Drug Absorption: Sensitivity Analyses
Drug solubility, effective permeability, and intestinal metabolism and transport are parameters that govern intestinal bioavailability and oral absorption.
Utilizing In Vitro Dissolution-Permeation Chamber for the Quantitative Prediction of pH-Dependent Drug-Drug Interactions with Acid-Reducing Agents: a Comparison with Physiologically Based Pharmacokinetic Modeling
For many orally administered basic drugs with pH-dependent solubility, concurrent administration with acid-reducing agents (ARAs) can significantly impair their absorption and exposure.
Folate-targeted amphiphilic cyclodextrin.siRNA nanoparticles for prostate cancer therapy exhibit PSMA mediated uptake, therapeutic gene silencing in vitro and prolonged circulation in vivo
In this study, a folate targeted cyclodextrin (CD) nanoparticle was prepared by co-formulating CD.siRNA complexes with DSPE-PEG5000-folate to target the prostate specific membrane antigen (PSMA).
Physiologically Based Absorption Modeling to Design Extended-Release Clinical Products for an Ester Prodrug
Absorption modeling has demonstrated its great value in modern drug product development due to its utility in understanding and predicting in vivo performance.
Modeling and Simulation Strategy to Support Eslicarbazepine Acetate (ESL) Development in Pediatric Patients in the Treatment of Partial-Onset Seizures
Eslicarbazepine acetate (ESL, Aptiom®) was FDA approved for adjunctive treatment of partial-onset seizures (POS) in adults aged 18 years and older, with subsequent approval as monotherapy.
Intracellular unbound drug concentrations: methodology and application for understanding cellular drug exposure
Most known drug targets and metabolizing enzymes are located inside cells.
hERG Datasheet
The hERG (human Ether-à-go-go Related Gene) encodes potassium channels that are responsible for the normal repolarization of the cardiac action potential.