Open AccessBinding Pattern Determination Of Class of Antifungal Drugs
Author(s) -
Arpit Tandon,
Andleeb Z. Naqvi,
Nitin Chitranshi,
Siddharth Sinha
Publication year - 2010
Publication title -
nature precedings
Language(s) - English
Resource type - Journals
ISSN - 1756-0357
DOI - 10.1038/npre.2010.4314.1
Subject(s) - bifonazole , miconazole , chemistry , econazole , stereochemistry , imidazole , docking (animal) , binding site , antifungal , cytochrome p450 , drug , ligand (biochemistry) , biochemistry , enzyme , pharmacology , biology , receptor , microbiology and biotechnology , medicine , nursing
Crystal Structure of cytochrome p450 2B4 has 476 amino acids, through docking approach we have attempted to explain the specificity of CYP2B4, total 28 imidazole drug were used for the studies as antifungal drugs in which bound bifonazole (reference) shows the binding energy of -8.67 kcal/mol .Compound Miconazole shows the minimum binding energy of -10.45 kcal/mol. The 2B4-bifonazole structure identified 10 residues (ALA 298, GLY 299, GLU 301, THR 302, ILE 363, VAL 292) within 6.5 Å of the active site of bifonazole. GLU 301, THR 302 are also located in 6.5 Å of the bound ligand in 2B4 structure. Due to the presence of the multiple binding substrates in cytochrome p450, it acts as the major target of many drugs in xenobiotic metabolism.