title: Modeling study of some inhibitors of 17,20-lyase, a component of the enzyme 17 alpha-hydroxylase/17,20-lyase: a novel approach.
abstract: A novel molecular modeling study, involving inhibitors bound to a "substrate-heme complex," is described for the binding of steroidal and non-steroidal inhibitors of the 17,20-Lyase component of the enzyme complex 17 alpha-hydroxylase/17,20-lyase to gain further insight into the active site of this enzyme. This novel approach has resulted in the construction of a simple working model using which a number of compounds and their inhibitory activity have been rationalised.
authors.affiliation: School of Applied Chemistry, Kingston University, Kingston upon Thames, Surrey, United Kingdom.
authors.forename: S
authors.initials: S
authors.lastname: Ahmed
authors.forename: J
authors.initials: J
authors.lastname: Keane
mesh_terms: D001665:Binding Sites; D004791:Enzyme Inhibitors / Q000737:chemistry / Q000378:metabolism / Q000494:pharmacology*; D007093:Imidazoles / Q000737:chemistry / Q000378:metabolism / Q000494:pharmacology*; D007654:Ketoconazole / Q000737:chemistry / Q000378:metabolism / Q000494:pharmacology; D008958:Models, Molecular; D011487:Protein Conformation; D013254:Steroid 17-alpha-Hydroxylase / Q000037:antagonists & inhibitors* / Q000378:metabolism; D013379:Substrate Specificity
chemical_list: D004791:Enzyme Inhibitors; D007093:Imidazoles; D013254:Steroid 17-alpha-Hydroxylase; C036596:bifonazole; D007654:Ketoconazole