Identification of CYP1A2 ligands by structure-based and ligand-based virtual screening†
Abstract
The metabolic enzyme cytochrome P450 1A2 (CYP1A2) attracts much attention, not only because of its metabolism of
* Corresponding authors
a
Faculty of Pharmaceutical Sciences, Department of Medicinal Chemistry, University of Copenhagen, Universitetsparken 2, Copenhagen, Denmark
E-mail:
lo@farma.ku.dk
Fax: +35-33-60-40
b Leiden–Amsterdam Center for Drug Research, Section of Molecular Toxicology, Department of Chemistry and Pharmacochemistry, Vrije Universiteit, De Boelelaan 1083, Amsterdam, The Netherlands
c Institute of Molecular Modeling and Simulation, University of Natural Resources and Life Sciences, Muthgasse 18, Vienna, Austria
The metabolic enzyme cytochrome P450 1A2 (CYP1A2) attracts much attention, not only because of its metabolism of
P. Vasanthanathan, J. Lastdrager, C. Oostenbrink, J. N. M. Commandeur, N. P. E. Vermeulen, F. S. Jørgensen and L. Olsen, Med. Chem. Commun., 2011, 2, 853 DOI: 10.1039/C1MD00087J
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