Simulations Plus Announces Extensions of U.S. FDA and NIEHS Research Collaborations

Simulations Plus Announces Extensions of U.S. FDA and NIEHS Research Collaborations

Keywords: FDA, food and chemical safety assessmets, in silico, model-informed drug development, New Approach Methodologies (NAMs), U.S. Food and Drug Administration (FDA), U.S. National Institute of Environmental Health Sciences (NIEHS)

Extended projects support ongoing research into computational approaches and new approach methodologies for food and chemical safety assessment

Design, Synthesis, and Pharmacological Evaluation of Metabolically Stable Apelin Receptor Antagonists with Improved In Vivo Exposure and Efficacy in Ovarian Cancer

Design, Synthesis, and Pharmacological Evaluation of Metabolically Stable Apelin Receptor Antagonists with Improved In Vivo Exposure and Efficacy in Ovarian Cancer

Authors: Elsheikh MS, Bist G, Kim S, Huang RY, Ruszaj D, Angevine D, Duminuco A, You Y, Woo S
Publication: J Med Chem
Keywords: a, admet predictor, Apelin Receptor Antagonists, in vivo exposure, ovarian cancer
Software: ADMET Predictor®

The apelin receptor (APJ) has emerged as a potential novel therapeutic target in cancer due to its role in regulating cell proliferation, angiogenesis, and metastasis.

Novel Descriptors and Models for More Accurate ADME Predictions of Beyond Rule of Five Molecules

Novel Descriptors and Models for More Accurate ADME Predictions of Beyond Rule of Five Molecules

Authors: Jones J, Fraczkiewicz R, Bachorz RA, Chupakhin V, Lawless M, Miller D, Lukacova V
Publication: ChemRxiv
Keywords: adme predictions, admet predictor, drug development, in vitro ADME

This study addresses the critical need for improved physicochemical descriptors and predictive models tailored to beyond Rule of Five (bRo5) compounds, including PROTACs and cyclic peptides. B