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Molecular docking analysis of imidazole quinolines with gingipain R from Porphyromonas gingivalis



Kanumuru Rahul Reddy1, Gayathri Rengasamy*1, Surya Sekaran2, Vishnu Priya Veeraraghavan1, Kavitha Sankaran1   & Rajalakshmanan Eswaramoorthy*,2



1Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Science (SIMATS), Saveetha University, Chennai-600077; 2Department of Biomaterials (Green lab), Saveetha Dental College and Hospital, Saveetha Institute of Medical and Technical Science (SIMATS), Saveetha University, Chennai-600077



Kanumuru Rahul Reddy Ė E-mail: rahulkanumuru16@gmail.com

Gayathri Rengasamy - E-mail: gayathri.sdc@saveetha.com

Surya Sekaran - E-mail: suryas.sdc@saveetha.com

Vishnu Priya Veeraraghavan - E-mail: vishnupriya@saveetha.com

Kavitha Sankaran - E-mail: kavithas.sdc@saveetha.com

Rajalakshmanan Eswaramoorthy - E-mail: rajalakshmanane.sdc@saveetha.com


Article Type

Research Article



Received January 1, 2023; Revised January 30, 2023; Accepted January 31, 2023, Published January 31, 2023



Porphyromonas gingivalis is known to produce major virulence factor, Gingipain R that could penetrate the gingivae and cause tissue destruction. In this research we aim to target the gingipain R protein with imidazole quinoline derivatives (1-6) via insilico means. Molecular docking results show, compounds (1-6) have better affinity and amino acid interactions compared to the standard clinically proven drugs used as control group, and they obey Lipinskiís rule of five and can be used as potential drug candidates to inhibit gingipain R.



Antimicrobial agents, Porphyromonas gingivalis, imidazole quinolines, molecular docking, Insilico



Reddy et al. Bioinformation 19(1): 88-93 (2023)


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.