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Russian Chemical Reviews, 2016, Volume 85, Issue 8, Pages 854–879
DOI: https://doi.org/10.1070/RCR4614
(Mi rcr4123)
 

This article is cited in 23 scientific papers (total in 23 papers)

Computer-aided prediction of xenobiotic metabolism in humans

V. M. Bezhentseva, O. A. Tarasovaa, A. V. Dmitrieva, A. V. Rudika, A. A. Laguninba, D. A. Filimonova, V. V. Poroikova

a Institute of Biomedical Chemistry, Moscow
b Russian National Research Medical University named after N. I. Pirogov
English full-text Citations (23)
Abstract: The review describes the main databases containing information about the metabolism of xenobiotics, including data on drug metabolism, metabolic enzymes, schemes of biotransformation and the structures of some substrates and metabolites. Computational approaches used to predict the interaction of xenobiotics with metabolic enzymes, to identify the sites of metabolism in the molecule and to generate structures of potential metabolites for subsequent evaluation of their properties are considered. The advantages and limitations of particular computational methods for metabolism prediction are indicated and the prospects for their applications to improve the safety and efficacy of new drugs are discussed.
The bibliography includes 165 references.
Received: 19.11.2015
Russian version:
Uspekhi Khimii, 2016, Volume 85, Issue 8, Pages 854–879
DOI: https://doi.org/10.1070/RCR4614
Bibliographic databases:
Document Type: Article
Language: English
Original paper language: Russian
Citation: V. M. Bezhentsev, O. A. Tarasova, A. V. Dmitriev, A. V. Rudik, A. A. Lagunin, D. A. Filimonov, V. V. Poroikov, “Computer-aided prediction of xenobiotic metabolism in humans”, Usp. Khim., 85:8 (2016), 854–879; Russian Chem. Reviews, 85:8 (2016), 854–879
Citation in format AMSBIB
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\by V.~M.~Bezhentsev, O.~A.~Tarasova, A.~V.~Dmitriev, A.~V.~Rudik, A.~A.~Lagunin, D.~A.~Filimonov, V.~V.~Poroikov
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\pages 854--879
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\pages 854--879
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  • This publication is cited in the following 23 articles:
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