Molecular docking and in vitro evaluations of Hippocampus trimaculatus (seahorse) extracts as the anti-inflammatory compounds
by Manikandan Alagumuthu; Samuthirapandian Ravichandran; Kaliyaperumal Kumaravel; Sivakumar Arumugam; Rethna Priya
International Journal of Bioinformatics Research and Applications (IJBRA), Vol. 12, No. 4, 2016

Abstract: The present study was undertaken to illustrate the anti-inflammatory activity of seahorse (Hippocampus trimaculatus) extract in carrageenan-induced rat paw oedema model. Molecular docking study was executed with COX-2 and heme oxygenase inhibitor complexes to illustrate the interactions exhibited by seahorse extract metabolite with the target protein. Favourable interactions of seahorse extract metabolite with the active site residues of the COX-2 and heme oxygenase could be correlated with the potency and the compound is proved to be an anti-inflammatory agent as well as an antidote. In vitro anti-inflammatory activity by Human Red Blood Cell (HRBC) membrane stabilisation method was evaluated. Structure Activity Relationship (SAR) of the Cpd1-6 with various functional groups was also evaluated. Cpd6 with ketone, amine and four −CH3 found with best activity with a maximum percentage inhibition (Mean±SEM) 71.72±2.84 and IC50 17.89 μg/mL while Cpd3 with only −CH3 group showed a least activity of 33.24±4.41, IC50 94.38 μg/mL.

Online publication date: Mon, 05-Dec-2016

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