Develop a simplified early PK assessment tool for non DMPK experts
Model-Based Meta-Analysis of Anti-tuberculosis Regimen Efficacy in Relapsing Mouse Model Studies
Although temporarily eclipsed by the COVID-19 pandemic, tuberculosis (TB) remains the leading infectious disease-related cause of death in the world
Pharmacometrics in Phase 1: First in Human and Dose Selection for Phase 2
Drug development and Phase 1 studies
GastroPlus® DDI Standards Update Project
Creation of a GastroPlus® project starts with structure import using ADMET Predictor Module for both substrates and perpetrators
Designing Novel Compounds with Optimized Target Activity and ADMET Properties Using the AIDD™ Module
Goal – design compounds that have high potency at the primary target...
Assessment of the Mechanism for Remdesivir-Associated Clinical ALT Elevations Using DILIsym Quantitative Systems Toxicology Modeling
Remdesivir, a monophosphoramidate prodrug of a nucleoside analog, has been granted Emergency Use Authorization in the U.S. for the treatment of...
Collaborative R&D Models to Drive Innovation
Generative chemistry engine with chemically intelligent transforms
Predicting the in vivo performance of BCS class II/IV drugs using a combined in vitro – in silico approach Case study: Albendazole and Albendazole sulfoxide
Use of in vitro biorelevant experimentation in combination with in silico PBPK modeling to accurately predict the plasma...
Revisiting MUT_RISK in ADMET Predictor®
A mutagen is a physical or chemical agent that changes the genetic material, usually DNA, thus increasing the frequency of mutations
Quantitative Systems Toxicology Identifies the Mechanism and Data Gaps for Evaluating the Hepatotoxicity of Compound V
Compound V is a small molecule with potential therapeutic benefits in patients with obesity.
Untold Stories of Data Curation – MDCK Data Curation & Modeling
MDCK is a popular mammalian cell line used to measure apparent permeability
Computational Simulation of Complex Dermal Topical Formulations
By integrating systems of rate equations, the Transdermal Compartmental Absorption & Transit (TCAT) Model in GastroPlus®...
Teaching of Biopharmaceutics in a Drug Design Course: Use of GastroPlus as Educational Software
Computational Components Overview
Deposition of pentamidine analogues in the human body – spectroscopic and computational approaches
Bis-benzamidines are a diverse group of compounds with high potential in pharmacotherapy, and among them, pentamidine is a drug of great...
In silico Biopharmaceutical Prediction of silver Nanoparticle and Ibuprofen Complex
Prevalence of silver nanoparticles in various sectors including healthcare is abundantly increasing.
Synthesis, Biological Activity and In Silico Pharmacokinetic Prediction of a New 2-Thioxo-Imidazoldidin-4-One of Primaquine
The discovery of novel antiparasitic drugs for neglected tropical diseases (NTDs) constitutes a global urgency and requires a range of innovative strategies...
Development of transdermal based hydrogel formulations of vinorelbine with an evaluation of their in vitro profiles and activity against melanoma cells and in silico prediction of drug absorption
The primary course of melanoma treatment involves surgery in association with chemotherapy. One potential agent is vinorelbine (VNR).
Sanhuang Jiangtang tablet protects type 2 diabetes osteoporosis via AKT-GSK3β-NFATc1 signaling pathway by integrating bioinformatics analysis and experimental validation
Sanhuang Jiangtang tablet (SHJTT), has been widely used to treat type 2 diabetes mellitus (T2DM). However, the potential and mechanism of SHJTT in...
In Vitro Sensitivity Analysis of the Gastrointestinal Dissolution Profile of Weakly Basic Drugs in the Stomach-to-Intestine Fluid Changing System: Explanation for Variable Plasma Exposure after Oral Administration
An in vitro methodology for simulating the change in the pH and composition of gastrointestinal fluid associated with the transition of orally administered drugs from...