Antiinflammatory efficacy of n-Hexadecanoic acid from a mangrove plant Excoecaria agallocha L. through in silico, in vitro and in vivo

The various parts of Excoecaria agallocha L. have been scientifically evaluated for their role in inflammatory reactions. This study aimed to validate the potent anti-inflammatory efficacy of n-Hexadecanoic acid (HDA) isolated from Excoecaria agallocha using in silico, in vitro, and in vivo approaches. GC-MS and NMR analyses were employed for compound identification, revealing 30 phytochemical constituents. Molecular docking studies demonstrated strong inhibitory interactions between HDA and key inflammatory mediators, cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2). In vitro, assays confirmed a dose-dependent anti-inflammatory response, including protein denaturation, hypotonicity-induced hemolysis, and heat-induced hemolysis tests. Furthermore, in vivo evaluation using a carrageenan-induced Wistar rat model showed significant attenuation of paw edema in HDA-treated groups compared to the control. These findings collectively establish the potent anti-inflammatory properties of n-Hexadecanoic acid and its potential as a therapeutic candidate for inflammation-related disorders.