Identification and mechanistic analysis of an inhibitor of the CorC Mg²⁺ transporter.

ABSTRACT: The CorC/CNNM family of Na⁺-dependent Mg²⁺ transporters is ubiquitously conserved from bacteria to humans. CorC, the bacterial CorC/CNNM family of proteins, is involved in resistance to antibiotic exposure and in the survival of pathogenic microorganisms in their host environment. The CorC/CNNM family proteins possess a cytoplasmic region containing the regulatory ATP-binding site. CorC and CNNM have attracted interest as therapeutic targets, whereas inhibitors targeting the ATP-binding site have not been identified. Here, we performed a virtual screening of CorC by targeting its ATP-binding site, identified a compound named IGN95a with inhibitory effects on ATP binding and Mg²⁺ export, and determined the cytoplasmic domain structure in complex with IGN95a.

SUBMITTER: Huang Y 

PROVIDER: S-EPMC8066426 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature