Title

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

Authors

Abhijeeth S. Badiger^{1, 2}, K. Jayadev^{2, *}, G. Manu³, Ranjith Raj³, Avinash Ammanagi⁴, Shrisha Naik Bajpe¹, Ramith Ramu⁵

Affiliation

¹Department of Biotechnology, Sri Dharmasthala Manjunatheshwara College (Autonomous), Ujire-574240, Karnataka, India; ²Department of PG studies in Biotechnology, Alva’s College, Moodbidri - 574227, Karnataka, India; ³Department of Pharmacology, JSS Medical College, JSS Academy of Higher Education and Research, Mysuru - 570015, Karnataka, India; ⁴Department of PG studies in Microbiology and Biotechnology, Karnataka University, Dharwad - 580003, Karnataka, India; ⁵Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru-570015, Karnataka, India. ^*Corresponding author

Email

K. Jayadev - Email: jayadev72@yahoo.com; Abhijeeth S Badiger - Email: abhijeethbadiger@sdmcujire.in; G. Manu – Email: manug@jssuni.edu.in; Ranjith Raj - Email: ranjithraj@jssuni.edu.in; Avinash Ammanagi - Email: avi.ammanagi7411@gmail.com Shrisha Naik Bajpe - Email: shrishanaik@gmail.com; Ramith Ramu - Email: ramith24prince@gmail.com

Article Type

Research Article

Date

Received November 14, 2021; Revised December 31, 2021; Accepted December 31, 2021, Published January 31, 2022

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.

Keywords

Molecular docking, simulation, FimH protein, secondary metabolites, Garcinia species

Citation

Badiger et al. Bioinformation 18(2): 76-81 (2022)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

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.