Learn about the latest developments in GastroPlus®!
hERG Liability Classification Models Using Machine Learning Techniques
Known for its critical role in cardiac action potential repolarization, the voltage-dependent hERG K+ channel is one of the most prominent anti-targets determining cardio-toxicity of drugs.
An Efficient Strategy for the Glycosylation of Total Bufadienolides in Venenum Bufonis
Venenum Bufonis (VB), also called ChanSu or toad venom, is an important Traditional Chinese Medicine derived from the parotid gland secretion of giant toads (Bufo bufo gargarizans or Bufo melanostictus).
Reduced T-cell Numbers and Elevated Levels of Immunomodulatory Cytokines in Metastatic Prostate Cancer Patients De Novo Resistant to Abiraterone and/or Enzalutamide Therapy
Currently, there are two Food and Drug Administration (FDA)-approved drugs for androgen deprivation therapy (ADT) of metastatic castration-resistant prostate cancer...
ADMET Predictor 9.5 Release Notes
This new release of ADMET Predictor includes significant enhancements throughout the program, including to the ADMET Modeler™ and MedChem Designer™ modules.
Simulations Plus Releases ADMET Predictor® Version 9.5
New machine learning models and novel analysis methods address customer requests
Improved predictions of time-dependent drug-drug interactions by determination of cytosolic drug concentrations
The clinical impact of drug-drug interactions based on time-dependent inhibition of cytochrome P450 (CYP) 3A4 has often been overpredicted, likely due to use of improper inhibitor concentration estimates at the enzyme.
NAFLDsym v2A Release Webinar
NAFLDsym v2A includes mechanistic representation of fibrosis, steatosis, lipotoxicity, and inflammation. Over 1000 simulated patients with variability in their underlying pathophysiology, represent a spectrum of...
Simulations Plus Reports Record Second Quarter FY2019 Revenue
Quarterly Revenues Up 15%; Board of Directors Announces Quarterly Dividend of $0.06 Per Share
How to Understand Aqueous Ionization and Its Influence on Key Physical Properties of Drugs
Part I “You Must Unlearn What You Have Learned”: Clearing Up Myths About Aqueous Ionization of Drugs
Ocular biopharmaceutics: impact of modeling and simulation on topical ophthalmic formulation development
The estimation of ocular pharmacokinetics (PK) in various eye tissues is limited because of sampling challenges.
Transmembrane 4 L Six Family Member 5 Senses Arginine for mTORC1 Signaling
The mechanistic target of rapamycin complex (mTORC1) is a signaling hub on the lysosome surface, responding to lysosomal amino acids.
Simulations Plus Sets Date for 2nd Quarter 2019 Earnings Release and Conference Call
Conference Call to be on Tuesday, April 9, 2019, at 4:15 PM ET
Marijuana use by patients with multiple sclerosis
With social attitudes about marijuana changing and patients sometimes seeking nonmainstream treatment options...
Cytotoxic activity and physicochemical properties of Gendarusin A-E compounds on estrogen alfa receptors (2jf9)
Estrogen Alfa (ERα) is a receptor used as the main marker to identify the presence of tumors in the breast.compounds Gendarusin A-E have anticancer activity ...
Modeling Biology
John DiBella sells software that conducts computer simulations of a drug's reactions inside the body.
3D-QSAR, Docking, ADME/Tox studies on Flavone analogs reveal anticancer activity through Tankyrase inhibition
Flavones are known as an inhibitor of tankyrase, a potential drug target of cancer. We here expedited the use of different computational approaches and presented a fast, easy, cost-effective and high throughput...
In Silico Identification of Physicochemical and Pharmacokinetic Properties of Vitamin D3 and Its Derivatives
Vitamin D3 is an endogenous substance either biosynthesized in humans or absorbed from diet and health supplements.