Chemistry Student Seminar: Hebatalla Mohamed

Abstract

Optimising drug design by inhibiting the steroid biosynthesis enzyme CYP51

The aim of this research project is to unravel the mechanism followed by bacterial and fungal cytochrome P450 enzymes, Mycobacterium tuberculosis CYP51, Mycobacterium marinum CYP51 and Aspergillus fumigatus CYP51. Iterative cycles of computational predictions and verification of the in silico hypothesis to determine the binding modes for these enzymes will be followed by molecular modelling simulation.

Overall, this will result in enhanced the regio-selectivity towards steroid substrates and improved inhibitor binding. The project will involve computational chemistry, protein crystallography, and medical microbiology. Detailed knowledge of the mode of substrate binding and mechanisms of those enzymes can lead to new understandings in targeted-drug design.