In silico analysis of bioactive compounds from water extract of Gelidium spinosum as COX-2 inhibitor: in silico analysis of bioactive compounds from water extract of Gelidium spinosum

Warsi, Warsi and Jaswir, Irwandi (2026) In silico analysis of bioactive compounds from water extract of Gelidium spinosum as COX-2 inhibitor: in silico analysis of bioactive compounds from water extract of Gelidium spinosum. Clinical and Pharmaceutical Sciences Journal, 2 (1). pp. 38-45. E-ISSN 3089-5669

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Abstract

Water extract of Gelidium spinosum (WEGs) contains various bioactive compounds which potential as anti-inflammatory agent. This study was aimed to predict anti-inflammatory potential of bioactive compounds from WEGs as COX-2 inhibitor through in silico analysis. The in silico analysis was conducted using AutoDock Vina. The protein originated from the Protein Data Bank, and the metabolites were gathered from PubChem. 2-Acetyl-3-methylbenzo[b]thiophene (1) (-7.1 kcal/mol), and ethyl p-methoxycinnamate (3) (-7.1 kcal/mol) were demonstrated a higher binding affinity compared with the other ligands and phenidone (-6.7 kcal/mol). Potential of these ligands were weaker than tolfenamic acid (-9.1 kcal/mol). According to this in silico analysis, bioactive compounds from water extract of G. spinosum possesses an anti-inflammatory potential mediated COX-2 receptor inhibition.

Item Type:	Article (Journal)
Uncontrolled Keywords:	Anti-inflammatory, cyclooxygenase site, receptor, water extract, 5IKT
Subjects:	Q Science > Q Science (General) Q Science > QD Chemistry R Medicine > R Medicine (General) R Medicine > RS Pharmacy and materia medica > RS403 Materia Medica-Pharmaceutical Chemistry
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button):	International Institute for Halal Research and Training (INHART)
Depositing User:	Prof. Dr. Irwandi Jaswir
Date Deposited:	06 Oct 2026 01:23
Last Update:	06 Oct 2026 01:23
Queue Number:	2026-10-Q5455
URI:	http://irep.iium.edu.my/id/eprint/131726
Indexed In:	Google Scholar

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