In vitro and in vivo evaluation of the main protease inhibitor FB2001 against SARS-CoV-2

In vitro and in vivo evaluation of the main protease inhibitor FB2001 against SARS-CoV-2

Publication: Antiviral Res
Software: GastroPlus®
Division: Simulations Plus

FB2001 is a drug candidate that targets the main protease of SARS-CoV-2 via covalently binding to cysteine 145.

Inferring Therapeutic Targets in Candida albicans and Possible Inhibition through Natural Products: A Binding and Physiological Based Pharmacokinetics Snapshot

Inferring Therapeutic Targets in Candida albicans and Possible Inhibition through Natural Products: A Binding and Physiological Based Pharmacokinetics Snapshot

Publication: Life (Basil)
Software: GastroPlus®
Division: Simulations Plus

Despite being responsible for invasive infections, fungal pathogens have been underrepresented in computer aided therapeutic target mining and drug design.

Absorption, distribution, metabolism, and excretion of [14C]Mefuparib (CVL218), a novel PARP1/2 inhibitor, in rats

Absorption, distribution, metabolism, and excretion of [14C]Mefuparib (CVL218), a novel PARP1/2 inhibitor, in rats

Publication: Cancer Chemother Pharmacol
Software: GastroPlus®
Division: Simulations Plus

Mefuparib (CVL218) is a novel second-generation poly-ADP-ribose polymerase (PARP) inhibitor for cancer treatment.

Physiologically based pharmacokinetic modeling and simulation of cannabinoids in human plasma and tissues

Physiologically based pharmacokinetic modeling and simulation of cannabinoids in human plasma and tissues

Authors: Liu Y, Sprando RL
Publication: J Appl Toxicol
Software: GastroPlus®
Division: Simulations Plus

There has been an increased public interest in developing consumer products containing nonintoxicating cannabinoids, such as cannabidiol (CBD) and cannabigerol (CBG).

Utility of preclinical species for uncertainty assessment and correction of prediction of human volume of distribution using the Rodgers-Lukacova model

Utility of preclinical species for uncertainty assessment and correction of prediction of human volume of distribution using the Rodgers-Lukacova model

Publication: Xenobiotica
Software: GastroPlus®
Division: Simulations Plus

Prediction of rat, dog, monkey, and human volume of distribution (VDss) by Rodgers-Lukacova model was evaluated using a data set of more than 100 compounds.

In vitro antibacterial activity and in vivo pharmacokinetics of intravenously administered Amikacin-loaded Liposomes for the management of bacterial septicaemia

In vitro antibacterial activity and in vivo pharmacokinetics of intravenously administered Amikacin-loaded Liposomes for the management of bacterial septicaemia

Publication: Colloids Surf B Biointerfaces
Software: GastroPlus®

Systemic delivery of amikacin is a widely adopted treatment modality for severe infections like sepsis. However, the current course of treatment requires repeated bolus doses of amikacin, prolonged hospitalization, and continuous therapeutic monitoring to manage the severe adverse effects.

Pimavanserin exposure–response analyses in patients with schizophrenia: results from the phase 2 ADVANCE study

Pimavanserin exposure–response analyses in patients with schizophrenia: results from the phase 2 ADVANCE study

Publication: Journal of Clinical Psychopharmacology
Division: Cognigen

Pimavanserin is a selective serotonin 5-HT2A receptor inverse agonist/antagonist being investigated in patients with negative symptoms of schizophrenia. This analysis aimed to characterize exposure-response relationships of...

Clinical Ocular Exposure Extrapolation for Ophthalmic Solutions Using PBPK Modeling and Simulation

Clinical Ocular Exposure Extrapolation for Ophthalmic Solutions Using PBPK Modeling and Simulation

Publication: Pharmaceutical Research
Software: GastroPlus®
Division: Simulations Plus

The development of generic ophthalmic drug products is challenging due to the complexity of the ocular system, and a lack of sensitive testing to evaluate the interplay of physiology with ophthalmic formulations.

Results from a Validated in vitro Gastrointestinal Model (TIM) used as input Data for in silico Modeling Give Highly Predictive Information for the Human Situation

Results from a Validated in vitro Gastrointestinal Model (TIM) used as input Data for in silico Modeling Give Highly Predictive Information for the Human Situation

Publication: Medical Research Archives
Software: GastroPlus®
Division: Simulations Plus

The aim of this review paper is to evaluate the predictive quality of a combination of in vitro dynamic gastrointestinal models, mucosal transit models and in silico kinetic...

Translational pharmacokinetics of a novel bispecific antibody against Ebola virus (MBS77E) from animal to human by PBPK modeling & simulation

Translational pharmacokinetics of a novel bispecific antibody against Ebola virus (MBS77E) from animal to human by PBPK modeling & simulation

Publication: Int J Pharm
Software: GastroPlus®
Therapeutic Areas: Biologics

The goal of this study was to construct a PBPK model to accelerate the translation of MBS77E, a humanized bispecific antibody against the Ebola virus.

Gastrointestinal Fluid Volumes in Pediatrics: A Retrospective MRI Study

Gastrointestinal Fluid Volumes in Pediatrics: A Retrospective MRI Study

Publication: Pharmaceutics
Software: GastroPlus®

The volume and distribution of fluids available in the gastrointestinal (GI) tract may substantially affect oral drug absorption.