alexa Abstract | Kaempferol derivatives as a potent inhibitor of LYS-Gingipain KGP which is the predominant factor in the development of periodontitis

Journal of Chemical and Pharmaceutical Research
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Porphyromonas gingivalis is recognised as one of the important pathogens causing periodontal disease. Its ability to attach to other cells and matrix, its toxic products, ability to evade and disturb host defenses and trigger inflammation contributes to its virulence. Extracellular proteinases (gingipains) are considered important virulence factors. Among the gingipains, the most important method of invasion of Porphyromonas gingivalis is by adhesion, colonization and the hemolysis of erythrocytes. Upon engagement to their ligands they can cause the hemolysis of erythrocytes. Lys-gingipain KGP is the most potent fibrinogen/fibrin degrading enzyme and is involved in the bleeding tendency at the diseased gingiva. Further it has been suggested that the development of a strategy to block the Lys-gingipain KGP can potentially help in the prevention and treatment of periodontitis. The three dimensional structure of Lys-gingipain KGP was retrieved from RCSB database. A total of 500 ligands in 2D format were generated from the basic structure of kaempferol with the help of software ACD chemsketch. Rapid virtual screenings of these compounds were performed in the docking tool iGEMDOCK v2.0. The molecular docking of ligands was performed using AutoDock 4.0 software. In the present study, the possible drug candidates ie., 2-(4- hydroxyphenyl)-4-imino-1,4-dihydroquinoline-3,5,7-triol, 3,7-dihydroxy-6-(4-methylphenyl) quinolin-8(5H)-one, 5- hydroxy-2-(4-hydroxy phenyl)-3-methyl quinolin-4(1H)-one and 3-(4-fluoro phenyl)-5,8-dimethyl-1,4-dihydro naphthalene-2,6-diol have been designed that can be used in control and treatment of periodontitis caused by P. gingivalis

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Author(s): Michael Bernard Prashanth F Vishnu M R Delfin Lovelina Francis and Chitra R Chandran


Lys-gingipain KGP, periodontitis, kaempferol derivatives, molecular docking, autodock., periodontitis

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