WebMar 17, 2024 · DOI: 10.1093/nar/gkaa166 Corpus ID: 212749946; SuperCYPsPred—a web server for the prediction of cytochrome activity @article{Banerjee2024SuperCYPsPredaWS, title={SuperCYPsPred—a web server for the prediction of cytochrome activity}, author={Priyanka Banerjee and Mathias Dunkel and Emanuel Kemmler and Robert … WebThe pharmacological activities, toxicological risks, and molecular targets of LL were determined using free software such as Molsoft© to define the bioactivity through comparison with standard drugs [1], Molinspiration© to calculate physicochemical properties [2], ToxiM© to determine possible intestinal permeability [3,4], …
Combinative ex vivo studies and in silico models ProTox-II for ...
WebJul 2, 2024 · The SuperCYPsPred web server is currently focused on five major CYPs isoenzymes, which includes CYP1A2, CYP2C19, CYP2D6, CYP2C9 and CYP3A4 that are … http://www.nlm.medscape.idmu.unboundmedicine.unboundmedicine.com/medline/citation/32182358/SuperCYPsPred_a_web_server_for_the_prediction_of_cytochrome_activity_ bridge house omagh
The Cancer Drug Fraction of Metabolism Database. - Europe PMC
WebApr 1, 2024 · The SuperCYPsPred web server is a web server that reports the CYP inhibition profile of the chemical for 10 models using different molecular fingerprints, along with confidence scores, similar compounds, known CYPs information of drugs, detailed interaction profile of individual cytochromes including a DDIs table and an overall CYPs … WebIn this study, we have compared the predictive performance of the published computational tools such as ProTox-II, SuperCYPsPred with the data obtained from ex-vivo experiments. … Webdetermine possible intestinal permeability [3,4], SuperCYPsPred© to predict drug metabolism via the cytochrome-P450 system [5,6], and SEA© to find proteins with binding sites for the active compounds through an inverse protein–ligand approach [7,8]. Molecular docking with key proteins can\u0027t format raw sd card