Computational Design of Novel Allosteric Inhibitors for Plasmodium falciparum DegP.

ABSTRACT: The serine protease, DegP exhibits proteolytic and chaperone activities, essential for cellular protein quality control and normal cell development in eukaryotes. The P. falciparum DegP is essential for the parasite survival and required to combat the oscillating thermal stress conditions during the infection, protein quality checks and protein homeostasis in the extra-cytoplasmic compartments, thereby establishing it as a potential target for drug development against malaria. Previous studies have shown that diisopropyl fluorophosphate (DFP) and the peptide SPMFKGV inhibit E. coli DegP protease activity. To identify novel potential inhibitors specific to PfDegP allosteric and the catalytic binding sites, we performed a high throughput in silico screening using Malaria Box, P

SUBMITTER: Shehzad S 

PROVIDER: S-EPMC8141111 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature