Ligand-Based Site of Metabolism Prediction for Cytochrome P450 2D6
Open Access
- 9 November 2011
- journal article
- research article
- Published by American Chemical Society (ACS) in ACS Medicinal Chemistry Letters
- Vol. 3 (1), 69-73
- https://doi.org/10.1021/ml200246f
Abstract
No abstract availableKeywords
This publication has 15 references indexed in Scilit:
- Structure-Based Site of Metabolism Prediction for Cytochrome P450 2D6Journal of Medicinal Chemistry, 2011
- SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug MetabolismACS Medicinal Chemistry Letters, 2010
- Empirical Regioselectivity Models for Human Cytochromes P450 3A4, 2D6, and 2C9Journal of Medicinal Chemistry, 2007
- Catalytic Site Prediction and Virtual Screening of Cytochrome P450 2D6 Substrates by Consideration of Water and Rescoring in Automated DockingJournal of Medicinal Chemistry, 2006
- Crystal Structure of Human Cytochrome P450 2D6Published by Elsevier BV ,2006
- Metabolic Regio- and Stereoselectivity of Cytochrome P450 2D6 towards 3,4-Methylenedioxy-N-alkylamphetamines: in Silico Predictions and Experimental ValidationJournal of Medicinal Chemistry, 2005
- The Structure of Human Microsomal Cytochrome P450 3A4 Determined by X-ray Crystallography to 2.05-Å ResolutionJournal of Biological Chemistry, 2004
- Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and ProgesteroneScience, 2004
- The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and BioinformaticsJournal of Chemical Information and Computer Sciences, 2003
- Novel Approach To Predicting P450-Mediated Drug Metabolism: Development of a Combined Protein and Pharmacophore Model for CYP2D6Journal of Medicinal Chemistry, 1999