Ontology highlight
ABSTRACT:
SUBMITTER: Gupta D
PROVIDER: S-EPMC7191842 | biostudies-literature | 2020 Apr
REPOSITORIES: biostudies-literature
ACS omega 20200401 16
The manifestation of class D β-lactamases in the community raises significant concern as they can hydrolyze carbapenem antibiotics. Hence, it is exceptionally alluring to design novel inhibitors. Structure-based virtual screening using docking programs and molecular dynamics simulations was employed to identify two novel non-β-lactam compounds that possess the ability to block different OXA variants. Furthermore, the presence of a nonpolar aliphatic amino acid, valine, near the active site serin ...[more]