SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug Metabolism-Reference-Cited by-同舟云学术

SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug Metabolism

Published:2010-03-15 Issue:3 Volume:1 Page:96-100
ISSN:1948-5875
Container-title:ACS Medicinal Chemistry Letters
language:en
Short-container-title:ACS Med. Chem. Lett.

Author:

Rydberg Patrik¹,Gloriam David E.¹,Zaretzki Jed²,Breneman Curt²,Olsen Lars¹

Affiliation:

1. Biostructural Research, Department of Medicinal Chemistry, Faculty of Pharmaceutical Sciences, University of Copenhagen, Universitetsparken 2, DK-2100 Copenhagen, Denmark

2. Center for Biotechnology and Interdisciplinary Studies, Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, New York 12180

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry,Drug Discovery,Biochemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ml100016x

Reference28 articles.

1. State-of-the-art Tools for Computational Site of Metabolism Predictions: Comparative Analysis, Mechanistical Insights, and Future Applications

2. Computational approaches for predicting CYP-related metabolism properties in the screening of new drugs

3. Computational prediction of drug binding and rationalisation of selectivity towards cytochromes P450

4. CypScore: Quantitative Prediction of Reactivity toward Cytochromes P450 Based on Semiempirical Molecular Orbital Theory

5. A Model for Predicting Likely Sites of CYP3A4-mediated Metabolism on Drug-like Molecules

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