The physiological properties of the gastrointestinal tract, such as pH, fluid volume, bile salt concentration, and gastrointestinal transit time, are highly variable in vivo.
Using DDDPlus™ to Predict in vivo API Exposure Levels
There has been an increasing desire to incorporate mechanistic models of in vitro experiments to evaluate the interplay between...
Early assessment of PK properties with the ADMET Predictor® HTPK Simulation module, a high-throughput mechanistic PBPK approach
David Miller, Vice President of Cheminformatics, expands on this PBPK approach with the HTPK module...
Utilization of PBBM/PBPK Models for Building a Safe Space and Regulatory Applications in Support of Drug Product Quality
Sandra Suarez-Sharp, VP of Regulatory Affairs presents to the GastroPlus User Group - the concept of safe space to decrease the regulatory burden...
The GastroPlus® – Additional Dosage Routes Seminar Series
This GastroPlus Seminar series focused on the Additional Dosage Route’s module which goes beyond the traditional oral and intravenous drug...
The GastroPlus® “Workshop from Home” Seminars (April 13-17)
Physiologically based pharmacokinetic modeling & simulation is increasingly used as a tool in drug product development, not only in support...
High-Fat Breakfast Increases Bioavailability of Albendazole Compared to Low-Fat Breakfast: Single-Dose Study in Healthy Subjects
Albendazole is a benzimidazole carbamate drug with anthelmintic and antiprotozoal activity against intestinal and tissue parasites. It has been described that the administration with meals increases albendazole absorption.
A novel in silico method to predict drug PK profile in human and its application to build the PBPK model of Hydroxychloroquine for COVID-19 treatment
The first part of this study is to develop a novel protocol to predict the pharmacokinetic profiles of a target drug based on the Physiologically based pharmacokinetic (PBPK) model of a structurally similar template drug by combining predictions from two software for PBPK modeling, the SimCYP simulator and ADMET Predictor.
Development of an In Vivo Predictive Dissolution Methodology of Topiroxostat Immediate-Release Tablet Using In Silico Simulation
The main objective of this study was to develop an in vivo predictive dissolution (IVPD) model for topiroxostat immediate-release (IR) formulation...
April 2021 GastroPlus Newsletter
Happy Spring. For most of the world, we are beginning to come out of our Covid enforced isolation.
Simulations Plus Reports Record Second Quarter Fiscal 2021 Financial Results
Second quarter revenue of $13.1 million, reflecting 27% year-over-year growth
Board of Directors announces quarterly dividend of $0.06 per share
Decomposition Profile Data Analysis for Deep Understanding of Multiple Effects of Natural Products
It is difficult to understand the entire effect of a natural product because such products generally have multiple effects.
Concentration-QTc Analysis of Quizartinib in Patients with Relapsed/Refractory Acute Myeloid Leukemia
This analysis evaluated the relationship between concentrations of quizartinib and its active metabolite AC886 and QT interval corrected using Fridericia's formula (QTcF) in patients with...
Simulations Plus Reports Successful Results from AIDD Collaboration with Large Pharmaceutical Company
80% of preliminary molecules tested exhibit submicromolar activity and acceptable ADME properties
Quantitative systems toxicology (QST) to investigate mechanisms contributing to clinical bilirubin elevations
To be presented at the FDA/CDER and AASLD 2021 DILI Conference XVIII. Quantitative systems toxicology (QST) to investigate mechanisms contributing to clinical bilirubin elevations: Some patients treated with Drug X experienced clinically relevant elevations in serum bilirubin with concomitant ALT elevations, indicative of potentially severe liver injury (Hy’s Law cases). However, the interpretation is complicated if there is evidence that a compound directly alters bilirubin disposition, leading to bilirubin elevations absent liver injury. Distinguishing between these two possibilities is critical to inform drug development decisions. DILIsym, a QST platform of drug-induced liver injury (DILI), was used to investigate the interpretation of putative Drug X-related elevations in liver biomarkers.
Assessing the Potential for Hepatotoxicity for Combination Therapy of Valproate (VPA) and (CBD) using Quantitative Systems Toxicology (QST)
To be presented at the FDA/CDER and AASLD 2021 DILI Conference XVIII. Assessing the Potential for Hepatotoxicity for Combination Therapy of Valproate (VPA) and (CBD) using Quantitative Systems Toxicology (QST). We aimed to identify the mechanism(s) accounting for the higher incidence of ALT elevation observed in individuals treated with VPA and CBD by using a Quantitative Systems Toxicology (QST) model of hepatotoxicity (DILIsym®) to test the hypothesis that increased incidence of ALT elevation was due to VPA and CBD (or metabolites of each) inhibiting mitochondrial respiration.
Clinical pharmacokinetic study of latrepirdine via in silico sublingual administration
In recent decades, numerous in silico methodologies have been developed focused on the study of pharmacodynamic, pharmacokinetics and toxicological properties of drugs.