Auranofin Targeting the NDM-1 Beta-Lactamase: Computational Insights into the Electronic Configuration and Quasi-Tetrahedral Coordination of Gold Ions

Auranofin Targeting the NDM-1 Beta-Lactamase: Computational Insights into the Electronic Configuration and Quasi-Tetrahedral Coordination of Gold Ions

Recently, the well-characterized metallodrug auranofin has been demonstrated to restore the penicillin and cephalosporin sensitivity in resistant bacterial strains via the inhibition of the NDM-1 beta-lactamase, which is operated via the Zn/Au substitution in its bimetallic core. The resulting unusu...

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Bibliographic Details
Main Authors: Iogann Tolbatov, Alessandro Marrone
Format: Article
Language:English
Published: MDPI AG 2023-03-01
Series:Pharmaceutics
Subjects:
auranofin
NDM-1 metallo-beta-lactamase
DFT calculations
Zn/Au exchange
metal coordination
Online Access:https://www.mdpi.com/1999-4923/15/3/985

Internet

https://www.mdpi.com/1999-4923/15/3/985

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