{"title":"Antiinflammatory efficacy of n-Hexadecanoic acid from a mangrove plant Excoecaria agallocha L. through in silico, in vitro and in vivo","authors":"Ramamoorthy Purushothaman, Ganapathy Vishnuram, Thirugnanasambandam Ramanathan","doi":"10.1016/j.prenap.2025.100203","DOIUrl":null,"url":null,"abstract":"<div><div>The various parts of <em>Excoecaria agallocha L.</em> 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 <em>Excoecaria agallocha</em> 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.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"7 ","pages":"Article 100203"},"PeriodicalIF":0.0000,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Pharmacological Research - Natural Products","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2950199725000631","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
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.