NAFLDsym is a mechanistic, mathematical, QSP model 1. Can predict efficacy for compounds that modulate lipids and/or lipotoxicity with v1A 2. NAFLDsym v2A will also include inflammation and fibrosis submodels…
Population Pharmacokinetics, Exposure-Efficacy, and Target Attainment Analyses of Tedizolid in Japanese and Chinese Subjects
Methicillin-resistant Staphylococcus aureus (MRSA) remains a threat for healthcare systems globally.1 MRSA frequently causes healthcare-associated infections and is associated with increased morbidity…
Exploring Pharmacokinetic SARs Early in Drug Discovery
Late-stage attrition due to obviously bad physicochemical properties has been reduced by application of rules-ofthumb like Lipinski’s Rule of Five. Failure due to lack of efficacy remains a major issue.
The Influence of Dissolution, PMAT Influx, and MATE Efflux Rates on Paracellular Absorption of Metformin Using a Mechanistic Oral Absorption / PBPK Model
A physiologically based absorption and distribution model was developed for metformin to facilitate our understanding of the influence of transporters and dissolution rate on oral absorption.
Predicting Five Rat Acute Toxicity Endpoints with ANNE Models
Used ANNE technology to develop regression and classification models. Curation identified activity cliffs and questionable LD50 values. Model applicability domain is defined by the minimum and…
Exposure-safety and efficacy response relationships and population pharmacokinetics of eslicarbazepine acetate
Eslicarbazepine acetate (ESL) is a once-daily (QD) oral antiepileptic drug (AED) for focal-onset seizures (FOS).
Adding OATP and MRP-2 transporters to PBPK models in GastroPlus®
This video shows how to add OATP and MRP-2 transporter kinetics to PBPK models.
Pharmacokinetics and interspecies scaling of a novel, orally-bioavailable anti-cancer drug, SHetA2
SHetA2 is a small molecule drug with promising cancer prevention and therapeutic activity and a high preclinical safety profile. The study objectives were to perform interspecies scaling and...
Dissolution and Translational Modeling Strategies Enabling Patient-Centric Drug Product Development: the M-CERSI Workshop Summary Report
On May 15th–17th, 2017, the US FDA and the International Consortium for Innovation and Quality in Pharmaceutical Development (IQ) held a workshop at the University of Maryland’s Center of Excellence...
Simulations Plus, Inc. to Host Earnings Call
Simulations Plus, Inc. (NASDAQ: SLP) will be discussing their earnings results in their Q2 Earnings Call to be held on April 9, 2018, at 4:15 PM Eastern Time.
Simulations Plus Reports Record Second Quarter FY2018 Revenue
Board of Directors Announces Quarterly Dividend of $0.06 Per Share
Mechanistic Absorption/PBPK Modeling to Predict Positive/Negative Food Effects: Approaches and Special Considerations
1) Early examples and proposed approach 2) Fasted vs. fed state model descriptions – where are we today? 3) Case study: positive food effect predictions – input review 4) Case study: negative food effect…
Leveraging PopPK and PBPK Modeling Approaches to Understand Food/PPI Effects
Applying both top-down (PopPK and PBPK) and bottom-up (PBPK) modeling approaches can leverage existing data sets and help prospectively answer questions. Predictions of absorption-related DDIs…
How to Understand Aqueous Ionization and Its Influence on Key Physical Properties of Drugs
Clearing Up Myths About Aqueous Ionization of Drugs, Understanding the pH Dependence of Aqueous Solubility, & Understanding the pH Dependence of Partitioning
A strategy for early risk predictions of clinical drug-drug interactions involving the GastroPlusTM DDI module for time-dependent CYP inhibitors
A set of reference compounds for time-dependent inhibition (TDI) of cytochrome P450 with available literature data for kinact and KI was used to predict clinical implications using the GastroPlusTM software.
A Survey of the Regulatory Requirements for BCS-Based Biowaivers for Solid Oral Dosage Forms by Participating Regulators and Organisations of the International Generic Drug Regulators Programme
The Biopharmaceutics Classification System (BCS) based biowaiver is a scientific model which enables the substitution of in vivo bioequivalence studies with in vitro data as evidence of therapeutic equivalence subject to certain conditions.
Discovery PBPK: How to enhance the expected accuracy of bioavailability predictions for NCEs that are not primarily metabolized
In this webinar, we will review the accuracy of purely in silico estimates of bioavailability and the chemistry classification of new chemical entity (NCE) molecules that are easier or harder to...
Experimental versus theoretical log D7.4, pKa and plasma protein binding values for benzodiazepines appearing as new psychoactive substances
The misuse of benzodiazepines as new psychoactive substances is an increasing problem around the world. Basic physicochemical and pharmacokinetic data is required on these substances to interpret and predict their effects upon humans.