The aim of the presented retrospective analysis was to verify whether a previously proposed Janssen Biopharmaceutical Classification System (BCS)-like decision tree, based on preclinical bioavailability...
Synthesis and Molecular Drug Efficacy of Indoline‐based Dihydroxy‐thiocarbamides: Inflammation Regulatory Property Unveiled over COX‐2 Inhibition, Molecular Docking, and Cytotoxicity Prospects
In this study, substituted indoline‐based dihydroxy‐carbamides (5a–i) were synthesized and evaluated as the cyclooxygenase‐2 (COX‐2) inhibitors to testify their inflammatory regulations through COX‐2 inhibition.
Simulations Plus Releases GastroPlus™ Version 9.6
Significant improvements support internal research activities through regulatory interactions
Does GastroPlus Support Similarity and Dissimilarity Factors of in vitro-in vivo Prediction in Biowaiver Studies? A Lower Strength Amlodipine As a Model Drug
Many generic pharmaceutical products are currently available on the market place worldwide.
β-CD-Catalyzed Multicomponent Domino Reaction: Synthesis, Characterization, in silico Molecular Docking and Biological Evaluation of pyrano[2,3-d]-pyrimidinone Derivatives
Simple and green synthetic procedures constitute an important goal in organic synthesis. The combination of multicomponent reactions (MCRs) and unconventional solvents has become a new research…
State-of-the-Art Review on Physiologically Based Pharmacokinetic Modeling in Pediatric Drug Development
Physiologically based pharmacokinetic modeling and simulation is an important tool for predicting the pharmacokinetics, pharmacodynamics, and safety of drugs in pediatrics.
Frangulosid as a Novel Hepatitis B Virus DNA Polymerase Inhibitor: A Virtual Screening Study
Hepatitis B virus (HBV) infects more than 400 million humans Worldwide. Currently, development of new anti-HBV agents is focused on inhibiting of HBV DNA polymerase activity. The natural components of…
Discovery PBPK: How to Estimate the Expected Accuracy of ISIVB and IVIVB for New Chemical Entities
PBPK modeling and simulation can be successfully used in the lead optimization phase of drug discovery. Using CLloc, accurate bioavailability can be predicted for new compounds in a chemical series.
Development of Positron Emission Tomography Radiotracers for the GABA Transporter 1
in vivo positron emission tomography (PET) imaging of the γ-aminobutyric acid (GABA) receptor complex has been accomplished using radiolabeled benzodiazepine derivatives, but development of specific…
Predicting mammalian metabolism and toxicity of pesticides in silico
Pesticides must be effective to be commercially viable but they must also be reasonably safe for those who manufacture them, apply them, or consume the food they are used to produce.
Microarray Plate Method for Estimation of Precipitation Kinetics of Celecoxib under Biorelevant Conditions and Precipitate Characterization.
Study methodologies of supersaturated state are fast developing as pharmaceutical industry is adopting supersaturating drug delivery systems (SDDS) to overcome the solubility issue of drugs.
Automated techniques in pKa determination: Low, medium and high-throughput screening methods
Drug discovery programs that generate hundreds of new molecular entities need efficient methodologies for physicochemical profiling.
US FDA Procures DILIsym Software License Package
US FDA Continues Its Goal of Propelling Model-Based Drug Development Forward
Ionization effects in GastroPlus®
This video discusses how the ionization of a molecule effects its dissolution and absorption.
The OECD Principles for (Q)SAR Models in the Context of Knowledge Discovery in Databases (KDD)
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…
Using Liver Microsomal clearance in GastroPlus®
This video demonstrates how to enter liver microsomal data into GastroPlus with the unit converter and importing the values during structure input.
In vitro/in silico approach in the development of simvastatin-loaded self-microemulsifying drug delivery systems.
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...
Simulations Plus Announces Employee Bonuses
Simulations Plus, Inc. (NASDAQ: SLP), the premier provider of simulation and modeling software and consulting services for all stages of pharmaceutical discovery and development, today announced that it will be distributing a one-time $1,000 discretionary cash bonus to each of its employees.
GastroPlus™ 9.6 Release Webinar: Improvements Supporting R&D Through Regulatory Interactions
We are pleased to announce the release of GastroPlus™ 9.6! These improvements in our top-ranked PBPK modeling platform support discovery/preclinical/clinical R&D work through regulatory interactions.