Molecular Docking Studies of Rifampicin – rpoB complex: Repurposing Drug Design Implications for against Plasmodium falciparum Malaria through a Computational Approach

Drug Res (Stuttg) DOI: 10.1055/a-1974-9028Malaria is one of the world’s most devastating diseases, infecting well
over 300 million people annually and killing between 2 and 3 million worldwide.
Increasing parasite resistance to many existing drugs is exacerbating disease.
Resistance to commonly used malarial drugs is increasing the need to develop new
drugs urgently. Due to the slow pace and substantial costs of new drug
development, repurposing of old drugs which is recently increasingly becoming an
attractive proposition of highly efficient and effective way of drug discovery
led us to study the drug rifampicin for this purpose. The present paper aims to
investigate the route of Plasmodium falciparum apicoplast-targeted
proteins that putatively encode β subunits of RNA polymerase with an
objective to develop an effective antimalarial drug. Homology searching for
conserved binding site to the rifampicin drug and the functional analysis of
rpoB gene were done. Multiple Sequence alignment analysis of
rpoB was compared with that in E.coli – rpoB
and M. tuberculosis – rpoB. Docking studies of
Rifampicin – rpoB complex was also done for finding
binding affinity. The results of computational studies showed that rifampicin is
a potential drug for malaria. [...] Georg Thieme Verlag Rüdigerstraße 14,...

Source: Drug Research - January 9, 2023 Category: Drugs & Pharmacology Authors: Yadav, Upasana Pandey, Jaya Tags: Original Article Source Type: research