Molecular docking and simulation analysis of the FimH protein with secondary metabolites from the Garcinia species

Molecular docking and simulation analysis of the FimH protein with secondary metabolites from the Garcinia species

It is of interest to document the molecular docking and simulation analysis of the FimH protein with 10 secondary metabolites from Garcinia species in the context of drug discovery for Urinary tract infections (UTIs). We report the optimal binding features of flavonoids with the FimH protein for fur...

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Veröffentlicht in:Bioinformation 2022-02, Vol.18 (2), p.76-81
1. Verfasser: Badiger, Abhijeeth
Format: Artikel
Sprache:eng
Schlagworte:
Drug discovery
FimH protein
Flavonoids
Garcinia
Metabolites
Molecular docking
Proteins
Secondary metabolites
Simulation
Simulation analysis
Urinary tract
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Zusammenfassung:It is of interest to document the molecular docking and simulation analysis of the FimH protein with 10 secondary metabolites from Garcinia species in the context of drug discovery for Urinary tract infections (UTIs). We report the optimal binding features of flavonoids with the FimH protein for further consideration in drug discovery.
ISSN:0973-8894
0973-2063
0973-2063
DOI:10.6026/97320630018076