GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism

GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism

Computational prediction of xenobiotic metabolism can provide valuable information to guide the development of drugs, cosmetics, agrochemicals, and other chemical entities. We have previously developed FAME 2, an effective tool for predicting sites of metabolism (SoMs). In this work, we focus on the...

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Bibliographic Details
Main Authors: Christina de Bruyn Kops, Conrad Stork, Martin Šícho, Nikolay Kochev, Daniel Svozil, Nina Jeliazkova, Johannes Kirchmair
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-06-01
Series:Frontiers in Chemistry
Subjects:
metabolism prediction
metabolite structure prediction
rule-based approach
sites of metabolism
xenobiotic metabolism
cytochrome P450
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2019.00402/full

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