Predicting drug metabolism by CYP1A1, CYP1A2, and CYP1B1: insights from MetaSite, molecular docking and quantum chemical calculations

Recently, CYP1 enzymes are documented for selective metabolism of anticancer leads in cancer prevention and/or progression. Elucidation of specificity of substrates/inhibitors of CYP1 isoforms plays a vital role in design of more selective and potent anticancer leads. However, an area of concern is...

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Veröffentlicht in:	Molecular diversity 2014-11, Vol.18 (4), p.865-878
Hauptverfasser:	Pragyan, Preeti, Kesharwani, Siddharth S., Nandekar, Prajwal P., Rathod, Vijay, Sangamwar, Abhay T.
Format:	Artikel
Sprache:	eng
Schlagworte:	Binding Sites Biochemistry Biomedical and Life Sciences Cytochrome P-450 CYP1A1 - chemistry Cytochrome P-450 CYP1A2 - chemistry Cytochrome P-450 CYP1B1 - chemistry Enzymes Full-Length Paper Life Sciences Metabolism Models, Chemical Models, Molecular Molecular Docking Simulation Molecular Dynamics Simulation Molecular structure Organic Chemistry Pharmacology Pharmacy Polymer Sciences Quantum Theory Reproducibility of Results Substrate Specificity
Online-Zugang:	Volltext
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