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

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.

SUBMITTER: Reddy KR 

PROVIDER: S-EPMC10504515 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature