Pharmacophore Modeling and <i>in Silico/in Vitro</i> Screening for Human Cytochrome P450 11B1 and Cytochrome P450 11B2 Inhibitors.

ABSTRACT: Cortisol synthase (CYP11B1) is the main enzyme for the endogenous synthesis of cortisol and its inhibition is a potential way for the treatment of diseases associated with increased cortisol levels, such as Cushing's syndrome, metabolic diseases, and delayed wound healing. Aldosterone synthase (CYP11B2) is the key enzyme for aldosterone biosynthesis and its inhibition is a promising approach for the treatment of congestive heart failure, cardiac fibrosis, and certain forms of hypertension. Both CYP11B1 and CYP11B2 are structurally very similar and expressed in the adrenal cortex. To facilitate the identification of novel inhibitors of these enzymes, ligand-based pharmacophore models of CYP11B1 and CYP11B2 inhibition were developed. A virtual screening of the SPECS database was performed wi

SUBMITTER: Akram M 

PROVIDER: S-EPMC5742115 | biostudies-literature | 2017

REPOSITORIES: biostudies-literature