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



Abhijeeth S. Badiger1, 2, K. Jayadev2, *, G. Manu3, Ranjith Raj3, Avinash Ammanagi4, Shrisha Naik Bajpe1, Ramith Ramu5



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



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



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.



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



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


Edited by

P Kangueane






Biomedical Informatics



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.