Title
Molecular docking analysis of imidazole quinolines with gingipain R from Porphyromonas gingivalis
Authors
Kanumuru Rahul Reddy1, Gayathri Rengasamy*1, Surya Sekaran2, Vishnu Priya Veeraraghavan1, Kavitha Sankaran1 & Rajalakshmanan Eswaramoorthy*,2
Affiliation
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 – 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
Date
Received January 1, 2023; Revised January 30, 2023; Accepted January 31, 2023, Published January 31, 2023
Abstract
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 Lipinski’s rule of five and can be used as potential drug candidates to inhibit gingipain R.
Keywords
Antimicrobial agents, Porphyromonas gingivalis, imidazole quinolines, molecular docking, Insilico
Citation
Reddy et al. Bioinformation 19(1): 88-93 (2023)
Edited by
P Kangueane
ISSN
0973-2063
Publisher
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.
