Unexpected metabolism can lead to the failure of many late-stage drug candidates or even the withdrawal of approved drugs. Therefore, during early research, it is important to predict the routes, sites, and products of metabolism of potential drug-like molecules, helping to alleviate these risks and aid in the identification of metabolites from in vitro and in vivo experiments.
Optibrium’s mechanistic metabolism models cover metabolism by cytochrome P450 (CYP), aldehyde oxidase (AOX), flavin-containing monooxygenases (FMOs), UDP-glucuronosyltransferases (UGTs), and sulfotransferases (SULTs). By combining these models, metabolic pathway analysis proposes the most likely metabolites with greater precision than other methods, assisting in metabolite identification studies and enabling potentially active, reactive, or toxic metabolites to be identified.
