The OECD Principles for (Q)SAR Models in the Context of Knowledge Discovery in Databases (KDD)

The OECD Principles for (Q)SAR Models in the Context of Knowledge Discovery in Databases (KDD)

Publication: Adv Protein Chem Struct Biol
Software: ADMET Predictor®

The steps followed in the knowledge discovery in databases (KDD) process are well documented and are widely used in different areas where exploration of data is used for decision making. In turn, while…

In vitro/in silico approach in the development of simvastatin-loaded self-microemulsifying drug delivery systems.

In vitro/in silico approach in the development of simvastatin-loaded self-microemulsifying drug delivery systems.

Publication: Drug Dev Ind Pharm
Software: GastroPlus®

The aims of this study were to formulate simvastatin (SV)-loaded self-microemulsifying drug delivery systems (SMEDDS), and explore the potential of these drug delivery systems to improve...

Pharmacokinetics and interspecies scaling of a novel, orally-bioavailable anti-cancer drug, SHetA2

Pharmacokinetics and interspecies scaling of a novel, orally-bioavailable anti-cancer drug, SHetA2

Publication: PLoS One
Software: GastroPlus®

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

Dissolution and Translational Modeling Strategies Enabling Patient-Centric Drug Product Development: the M-CERSI Workshop Summary Report

Publication: AAPS J
Software: GastroPlus®
Division: PBPK

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...

A strategy for early risk predictions of clinical drug-drug interactions involving the GastroPlusTM DDI module for time-dependent CYP inhibitors

A strategy for early risk predictions of clinical drug-drug interactions involving the GastroPlusTM DDI module for time-dependent CYP inhibitors

Publication: Xenobiotica
Software: GastroPlus®

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.

Experimental versus theoretical log D7.4, pKa and plasma protein binding values for benzodiazepines appearing as new psychoactive substances

Experimental versus theoretical log D7.4, pKa and plasma protein binding values for benzodiazepines appearing as new psychoactive substances

Publication: Drug Test Anal
Software: ADMET Predictor®

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.

Absolute Oral Bioavailability of Creatine Monohydrate in Rats: Debunking a Myth

Absolute Oral Bioavailability of Creatine Monohydrate in Rats: Debunking a Myth

Publication: Pharmaceutics
Software: GastroPlus®

Creatine is an ergogenic compound used by athletes to enhance performance. Supplementation with creatine monohydrate (CM) has been suggested for musculoskeletal and neurological disorders.

Process optimization and in vivo performance of docetaxel loaded PHBV-TPGS therapeutic vesicles: A synergistic approach.

Process optimization and in vivo performance of docetaxel loaded PHBV-TPGS therapeutic vesicles: A synergistic approach.

Publication: Int J Biol Macromol
Software: GastroPlus®

This research was motivated due to substantial requirement of improved treatment for breast cancer which accounts for over 0.52 million deaths annually worldwide.

Clinical Bioavailability of the Novel BACE1 Inhibitor Lanabecestat (AZD3293): Assessment of Tablet Formulations Versus an Oral Solution and the Impact of Gastric pH on Pharmacokinetics.

Clinical Bioavailability of the Novel BACE1 Inhibitor Lanabecestat (AZD3293): Assessment of Tablet Formulations Versus an Oral Solution and the Impact of Gastric pH on Pharmacokinetics.

Publication: Clin Pharmacol Drug Dev
Software: GastroPlus®
Division: PBPK

The relative bioavailability of lanabecestat administered as 2 tablet formulations versus an oral solution was investigated.

In vitro to in vivo extrapolation for high throughput prioritization and decision making

In vitro to in vivo extrapolation for high throughput prioritization and decision making

Publication: Toxicol In Vitro
Software: GastroPlus®
Division: PBPK

In vitro chemical safety testing methods offer the potential for efficient and economical tools to provide relevant assessments of human health risk.

Combining an In Vitro Kinetic Model with a Physiologically-Based Pharmacokinetic Model to Assess the Potential In Vivo Fate of Polyvinyl Pyrrolidone-Vinyl Acetate Copolymers

Combining an In Vitro Kinetic Model with a Physiologically-Based Pharmacokinetic Model to Assess the Potential In Vivo Fate of Polyvinyl Pyrrolidone-Vinyl Acetate Copolymers

Publication: Pharm Res
Software: GastroPlus®

To understand hydrolysis and alcoholysis of polyvinylpyrrolidone-co-vinylacetate (PVPVA) during formulation and storage, elucidate the reaction mechanism, establish an intrinsic kinetic model, and apply...

Monitoring of erlotinib in pancreatic cancer patients during long-time administration and comparison to a physiologically based pharmacokinetic model

Monitoring of erlotinib in pancreatic cancer patients during long-time administration and comparison to a physiologically based pharmacokinetic model

Publication: Cancer Chemother Pharmacol

In this study, a therapeutic drug monitoring (TDM) of erlotinib in pancreatic cancer patients was performed over 50 weeks to reveal possible alterations in erlotinib plasma concentrations.