Targeting Tuberculosis: Novel Scaffolds for Inhibiting Cytochrome bd Oxidase.
J Chem Inf Model
; 64(13): 5232-5241, 2024 Jul 08.
Article
en En
| MEDLINE
| ID: mdl-38874541
ABSTRACT
Discovered in the 1920s, cytochrome bd is a terminal oxidase that has received renewed attention as a drug target since its atomic structure was first determined in 2016. Only found in prokaryotes, we study it here as a drug target for Mycobacterium tuberculosis (Mtb). Most previous drug discovery efforts toward cytochrome bd have involved analogues of the canonical substrate quinone, known as Aurachin D. Here, we report six new cytochrome bd inhibitor scaffolds determined from a computational screen and confirmed on target activity through in vitro testing. These scaffolds provide new avenues for lead optimization toward Mtb therapeutics.
Texto completo:
1
Bases de datos:
MEDLINE
Asunto principal:
Inhibidores Enzimáticos
/
Mycobacterium tuberculosis
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Antituberculosos
Idioma:
En
Revista:
J Chem Inf Model
Asunto de la revista:
INFORMATICA MEDICA
/
QUIMICA
Año:
2024
Tipo del documento:
Article
País de afiliación:
Estados Unidos