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

Authors :
Reddy KR
Rengasamy G
Sekaran S
Veeraraghavan VP
Sankaran K
Eswaramoorthy R
Source :
Bioinformation [Bioinformation] 2023 Jan 01; Vol. 19 (1), pp. 88-93. Date of Electronic Publication: 2023 Jan 01 (Print Publication: 2023).
Publication Year :
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.<br />Competing Interests: The authors declare that there is no conflict of interests.<br /> (© 2023 Biomedical Informatics.)

Details

Language :
English
ISSN :
0973-2063
Volume :
19
Issue :
1
Database :
MEDLINE
Journal :
Bioinformation
Publication Type :
Academic Journal
Accession number :
37720276
Full Text :
https://doi.org/10.6026/97320630019088