Exploring the Natural Products Atlas (NPAtlas) Database for Hunting Prospective Irreversible Covalent DprE1 Inhibitors With Antitubercular Activity: An Integrated <i>In-Silico</i> Approach.

ABSTRACT: As the second most deadly infectious disease worldwide after COVID-19, tuberculosis (TB) remains a pressing global health issue, further aggravated by multidrug-resistant TB (MDR-TB) and extensively drug-resistant TB (XDR-TB) strains. There is an urgent need to identify new anti-TB treatments and novel therapeutics to confront drug resistance. The decaprenylphosphoryl-D-ribose oxidase (DprE1) is an essential protein for the biosynthesis of the mycobacterial cell wall, and its inhibition features a promising antitubercular strategy. NPAtlas was utilized as a reference database, comprising natural products with confirmed biological effects. The aim of the current study is to identify and prioritize promising nitro-containing natural products from the NPAtlas as potential covalent DprE1 inhib

SUBMITTER: Ibrahim MAA 

PROVIDER: S-EPMC12906241 | biostudies-literature | 2026

REPOSITORIES: biostudies-literature