Title : Three dimensional pharmacophore modeling of human CYP17 inhibitors. Potential agents for prostate cancer therapy.

Pub. Date : 2003 Jun 5

PMID : 12773039






2 Functional Relationships(s)
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1 Common chemical features in the steroid and nonsteroid human CYP17 enzyme inhibitors, as deduced by the Catalyst/HipHop program, are one to two hydrogen bond acceptors (HBAs) and three hydrophobic groups. Hydrogen cytochrome P450 family 17 subfamily A member 1 Homo sapiens
2 A model that permits hydrogen bond interaction between the azole functionality on ring D and the enzyme is consistent with experimental deductions for type II CYP17 inhibitors where a sixth ligating atom interacts with Fe(II) of heme. Hydrogen cytochrome P450 family 17 subfamily A member 1 Homo sapiens