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:
Research Article
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
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author Badiger, Abhijeeth S
Jayadev, K
Manu, G
Raj, Ranjith
Ammanagi, Avinash
Bajpe, Shrisha Naik
Ramu, Ramith
author_facet Badiger, Abhijeeth S
Jayadev, K
Manu, G
Raj, Ranjith
Ammanagi, Avinash
Bajpe, Shrisha Naik
Ramu, Ramith
author_sort Badiger, Abhijeeth S
collection PubMed
description 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.
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spelling pubmed-96494992022-11-22 Molecular docking and simulation analysis of the FimH protein with secondary metabolites from the Garcinia species Badiger, Abhijeeth S Jayadev, K Manu, G Raj, Ranjith Ammanagi, Avinash Bajpe, Shrisha Naik Ramu, Ramith Bioinformation Research Article 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. Biomedical Informatics 2022-02-28 /pmc/articles/PMC9649499/ /pubmed/36420433 http://dx.doi.org/10.6026/97320630018076 Text en © 2022 Biomedical Informatics https://creativecommons.org/licenses/by/3.0/This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.
spellingShingle Research Article
Badiger, Abhijeeth S
Jayadev, K
Manu, G
Raj, Ranjith
Ammanagi, Avinash
Bajpe, Shrisha Naik
Ramu, Ramith
Molecular docking and simulation analysis of the FimH protein with secondary metabolites from the Garcinia species
title Molecular docking and simulation analysis of the FimH protein with secondary metabolites from the Garcinia species
title_full Molecular docking and simulation analysis of the FimH protein with secondary metabolites from the Garcinia species
title_fullStr Molecular docking and simulation analysis of the FimH protein with secondary metabolites from the Garcinia species
title_full_unstemmed Molecular docking and simulation analysis of the FimH protein with secondary metabolites from the Garcinia species
title_short Molecular docking and simulation analysis of the FimH protein with secondary metabolites from the Garcinia species
title_sort molecular docking and simulation analysis of the fimh protein with secondary metabolites from the garcinia species
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9649499/
https://www.ncbi.nlm.nih.gov/pubmed/36420433
http://dx.doi.org/10.6026/97320630018076
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