Human immunodeficiency virus type 1 (HIV-1) is a public health problem that affects over 38 million people worldwide.
Feature of the week #90: Calculating the NADIR or the Cmax in the structural model
The maximum or minimum of any ODE variable can be calculated directly in the structural model.
Simulations Plus to Present at 15th Annual Needham Virtual Technology & Media Conference
Simulations Plus, Inc. (Nasdaq: SLP), the premier provider of simulation and modeling software and consulting services for pharmaceutical discovery...
May 2020 GastroPlus Newsletter
We have all enjoyed the new atmosphere of children, dogs and technical difficulties with our computers. Hopefully, we will return to a less worrisome world shortly.
An interim internal Threshold of Toxicologic Concern (iTTC) for chemicals in consumer products, with support from an automated assessment of ToxCast™ dose response data
Additional non-animal methods are urgently needed to meet regulatory and animal welfare goals.
Cyto-genotoxic effects of Pinoxaden on Allium cepa L. roots
Pinoxaden is the one of the acetyl-CoA carboxylases (ACCase) inhibiting herbicides and used for controlling grass weeds.
Druggability and drug-likeness concepts in drug design: are biomodelling and predictive tools having their say?
The drug discovery process typically involves target identification and design of suitable drug molecules against these targets.
Schiff bases of 4-Phenyl-2-Aminothiazoles as hits to new antischistosomals: Synthesis, in vitro, in vivo and in silico studies
The treatment of schistosomiasis is based on a single drug, the praziquantel (PZQ), an oral bioavailable and efficient agent which causes minimal side effects.
Feature of the week #89: Missing data
Missing data occurs in almost all research and handling it is one of the most difficult tasks when preparing data.
U.S. FDA Renews Annual DILIsym Software Licenses
FDA Maintains Access to Leading Liver Injury Software Program
Deployment of ADMET Predictor® as a Solution for In-Silico Modeling of ADMET Properties
David Miller, Director of ADMET Cheminformatics, will introduce how ADMET Predictor® is used as a platform for modeling ADMET Properties.
Application of structural and functional pharmacokinetic analogs for physiologically based pharmacokinetic model development and evaluation
This work provides case studies for the pharmacokinetic (PK) analog approach, where a physiologically based pharmacokinetic (PBPK) model for a...
Design, synthesis and evaluation of novel nonquaternary and 3 non-oxime reactivators for acetylcholinesterase inhibited by organophosphates
A new series of novel nonquaternary conjugates and non-oxime reactivators for reactivation of both nerve agents and pesticides inhibited...
May 2020 News/Events
StrategiesPlus™ COVID-19 ACT Program to speed consulting assistance to any organization involved in coronavirus research.
Current State and Future Expectations of Translational Modeling Strategies to Support Drug Product Development, Manufacturing Changes and Controls: A Workshop Summary Report
The implementation of clinically relevant drug product specifications (CRDPS) depends on establishing a link between in vitro performance and in vivo exposure.
Omics for Bioprospecting and Drug Discovery from Bacteria and Microalgae
“Omics” represent a combinatorial approach to high-throughput analysis of biological entities for various purposes.
Computational Prediction and Experimental Validation of ADMET Properties for Potential Therapeutics
The drug development process in the United States is an expensive and lengthy process, usually taking a decade or more to gain approval for a...
American Association of Pharmaceutical Scientists (AAPS) and Chinese National Institutes for Food and Drug Control (NIFDC) Joint Workshop on Dissolution, Bioequivalence, Product Performance, and Quality
The second joint workshop sponsored by the American Association of Pharmaceutical Scientists...
Absorption, distribution, metabolism, excretion, and toxicity evaluation of Papua red fruit flavonoids through a computational study
Red Fruit (RF) (Pandanus conoideus Lam.) was used as traditional medicine for Papuans and consumed as a daily meal.
Oligoadenylate Synthetase 1 enhances DNA sensor cGAS translation to mediate WNV antiviral activity
Interferons inhibit virus replication through the expression of interferon stimulated genes (ISGs).