MOLECULAR DOCKING STUDY OF 2-AMINOIMIDAZOLE SUBSTITUTED LIGAND AS INHIBITORS AS CYTOCHROME P450-DEPENDENT LANOSTEROL 14?-DEMETHYLASE (P45014DM, CYP51) IN THE ERGOSTEROL-BIOSYNTHESIS

Vibha M. Nikose and Meghasham N. Narule*

ABSTRACT

Molecular docking study of Azoles act by inhibiting cyctochrome P450 14 α demethylase is a key enzymes in the fungal ergo sterol biosynthesis. Azoles antifungal now represents a successful strategy for antifungal development. A universal step in the biosynthesis of membrane sterol and steroid hormones is the oxidative removal of the 14 α methyl group from sterol precursors by sterols 14 α demethylase. This enzyme is a primary targets in the treatment of fungal infection in organism ranging from human to plants and development of more potent and selective CYP51 inhibitors (azoles ) is an important biological objective. In study molecular docking via MOE-Dock program was used to evaluate binding interactions of ligands at target enzymes. We have recently described the synthesis and antifungal activity of series of 2-animoimidazoles derivatives. Here we reports set of our molecules in a 3D model of CYP51 of candida-albicans. The docking and experimental results were found in good correlation.

Keywords: Molecular docking, cyctochrome P450 14 ? demethylase, Azoles antifungal.