Target engagement and binding mode of an antituberculosis drug to its bacterial target deciphered in whole living cells by NMR

Target engagement and binding mode of an antituberculosis drug to its bacterial target deciphered in whole living cells by NMR

Detailed information on hit–target interaction is very valuable for drug discovery efforts and indispensable for rational hit to lead optimization. We developed a new approach combining NMR in whole-cells in-cell NMR) and docking to characterize hit–target interaction at the atomic level. By using i...

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Bibliographic Details
Main Authors: Bouvier, Guillaume, Simenel, Catherine, Jang, Jichan, Kalia, Nitin P., Choi, Inhee, Nilges, Michael, Pethe, Kevin, Izadi-Pruneyre, Nadia
Other Authors: Lee Kong Chian School of Medicine (LKCMedicine)
Format: Journal Article
Language:English
Published: 2021
Subjects:
Science::Biological sciences
Ligand-binding
Discovery
Online Access:https://hdl.handle.net/10356/150996

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