Cancer is one of the most alarming diseases due to its high mortality and still increasing incidence rate.
Natural phyto, compounds as possible noncovalent inhibitors against SARS-CoV2 protease: computational approach
At present, there is no cure or vaccine for the devastating new highly infectious severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) that has...
Application of the DILIsym® Quantitative Systems Toxicology drug-induced liver injury model to evaluate the carcinogenic hazard potential of acetaminophen
In 2019, the California Office of Environmental Health Hazard Assessment (OEHHA) initiated a review of the carcinogenic hazard potential of acetaminophen.
N-alkyl isatin derivatives: Synthesis, nematicidal evaluation and protein target identifications for their mode of action
Meloidogyne incognita is an economically dominant pathogen infesting a wide range of crops curbing their growth and productivity
Mechanistic evaluation of the effect of sodium‐dependent glucose transporter 2 inhibitors on delayed glucose absorption in patients with type 2 diabetes mellitus using a quantitative systems pharmacology model of human systemic glucose dynamics
Sodium‐dependent glucose transporter (SGLT) 2 is specifically expressed in the kidney, while SGLT1 is present in the kidneys and small intestine.
What’s New in GastroPlus® v9.8
GastroPlus® version 9.8 has the most innovative & integrative software improvements to accelerate drug development through...
Simulations Plus Releases GastroPlus® Version 9.8
Pharmaceutical researchers can confirm much more than just their “gut instinct” with enhancements to all validated non-oral delivery route models
Pharmacokinetics, Safety, and Tolerability of Oxfendazole in Healthy Adults in an Open-Label Phase 1 Multiple Ascending Dose and Food Effect Study
Neurocysticercosis and trichuriasis are difficult-to-treat parasitic infections that affect more than 1.5 billion people worldwide. Oxfendazole...
Quantitative Prediction of Cisplatin-Induced Acute Kidney Injury Using RENAsym, a Mechanistic Quantitative Systems Toxicology Model, and Renal Proximal Tubule Epithelial Cell In vitro Assays
Nephrotoxic drugs like cisplatin cause acute kidney injury (AKI) through complex cellular mechanisms that include mitochondrial dysfunction...
Physiologically Based Pharmacokinetic Modeling of Oral Absorption, pH, and Food Effect in Healthy Volunteers to Drive Alpelisib Formulation Selection
A physiologically based pharmacokinetic (PBPK) human model for alpelisib, an oral α-specific class I phosphatidylinositol-3-kinase (PI3K) inhibitor...
Modified tetra-oxygenated xanthones analogues as anti-MRSA and P. aeruginosa agent and their synergism with vancomycin
Five isolated xanthones from the C. cochinchinense and G. mangostana were evaluated and tested for antibacterial activities.
Simulations Plus Announces Quarterly Cash Dividend of $0.06 per Share
Simulations Plus, Inc. (Nasdaq: SLP), a leading provider of modeling and simulation solutions for the pharmaceutical, biotechnology, chemicals...
Development of cardiotoxicity model using ligand-centric and receptor-centric descriptors
Bioinformatics and statistical analysis have been employed to develop a classification model to distinguish
toxic and non-toxic molecules.
What’s New in DSX™
DILIsym is quantitative systems toxicology (QST) software that integrates in vitro mechanistic data and PBPK predictions of drug concentration in the...
Suspect and Non-target Screening Methodologies for the Evaluation of the Behaviour of Polar Organic Micropollutants and Changes in the Molecule Fingerprint During Water Treatment
The evaluation of water treatment systems in terms of presence, fate and removal of organic micropollutants is of paramount importance for...
Structure-Based Design of Novel Peptidomimetics Targeting the SARS-CoV-2 Spike Protein
SARS-CoV-2 is a SARS-like novel coronavirus strain first identified in December 2019 in Wuhan, China.
Molecular recognition of acetylcholinesterase and its subnanomolar reversible inhibitor: a molecular simulations study
Recently, we designed and synthesized a subnanomolar, reversible, dual-binding site acetylcholinesterase (AChE) inhibitor which consists of the tacrine...
Simulations Plus Teams Up with the University of Health Sciences and Pharmacy in St. Louis to Secure New Grant Award from the U.S. FDA
Partnership will develop and validate unique in vitro/in silico models for oral cavity products
Computational Screening Techniques for Lead Design and Development
Virtual screening is a computational screening technique used to screen drug-like compounds from vast libraries of chemicals based on the...