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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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Detalles Bibliográficos
Autores principales: Badiger, Abhijeeth S, Jayadev, K, Manu, G, Raj, Ranjith, Ammanagi, Avinash, Bajpe, Shrisha Naik, Ramu, Ramith
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9649499/
https://www.ncbi.nlm.nih.gov/pubmed/36420433
http://dx.doi.org/10.6026/97320630018076
Descripción
Sumario: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.