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...
Population Pharmacokinetic Analysis for Plasma and Epithelial Lining Fluid Ceftolozane/Tazobactam Concentrations in Patients With Ventilated Nosocomial Pneumonia
Ceftolozane/tazobactam (C/T) is a combination of a novel cephalosporin with tazobactam, recently approved for the treatment of hospital-acquired and
GastroPlus® v9.8.1 DDI Standards Update and Documentation Project
This webinar will be an introduction to the "GastroPlus DDI Standards Update" project.
Understanding Carrier Performance in Low-Dose Dry Powder Inhalation: An In Vitro–In Silico Approach
The use of physiologically based pharmacokinetic (PBPK) models to support drug product development has become increasingly popular.
Development of an In Silico Prediction Model for P-glycoprotein Efflux Potential in Brain Capillary Endothelial Cells toward the Prediction of Brain Penetration
Developing in silico models to predict the brain penetration of drugs remains a challenge owing to the intricate involvement of multiple transport systems in the blood brain barrier, and the necessity to consider a...
A PK/PD model of saxagliptin: to simulate its pharmacokinetics and pharmacodynamics in healthy adults and patients with impaired hepatic function
In this study, we aimed to develop and evaluate a whole-body physiologically based pharmacokinetic (WB-PBPK)/pharmacodynamic (PD) model for...
Simulations Plus and the University of Pittsburgh Drug Discovery Institute Receive SBIR Grant Funding for Large Molecule Safety Collaboration
Computational Modeling, Human Liver Microphysiology Systems (MPS) and the MPS-Database Platforms to be Integrated for Safety Testing
Biopharmaceutics Applications of Physiologically Based Pharmacokinetic Absorption Modeling and Simulation in Regulatory Submissions to the U.S. Food and Drug Administration for New Drugs
Physiologically based pharmacokinetic (PBPK) absorption modeling and simulation is increasingly used as a tool in drug product development, not only...
On Absorption Modeling and Food Effect Prediction of Rivaroxaban, a BCS II Drug Orally Administered as an Immediate-Release Tablet
The present work evaluates the food effect on the absorption of rivaroxaban (Riva), a BCS II drug, from the orally administered commercial immediate-release tablet (Xarelto IR) using physiologically based pharmacokinetic (PBPK)...
Current challenges and future perspectives in oral absorption research: An opinion of the UNGAP network
Although oral drug delivery is the preferred administration route and has been used for centuries, modern drug discovery and development pipelines...
IPFsym™, a platform to support the development of effective treatments for IPF patients
Patients with idiopathic pulmonary fibrosis (IPF) have a low survival prognosis and limited treatment options.