In Silico Analysis of the Potential of the Active Compounds Fucoidan and Alginate Derived from Sargassum Sp. as Inhibitors of COX-1 and COX-2.
BACKGROUND
The enzyme cyclooxygenase (COX) is an enzyme that catalyzes the formation of one of the mediators of inflammation, the prostaglandins. Inhibition of COX allegedly can improve inflammation-induced pathological conditions.


OBJECTIVE
The purpose of the present study was to evaluate the potential of Sargassum sp. components, Fucoidan and alginate, as COX inhibitors.


METHODS
The study was conducted by means of a computational (in silico) method. It was performed in two main stages, the docking between COX-1 and COX-2 with Fucoidan, alginate and aspirin (for comparison) and the analysis of the amount of interactions formed and the residues directly involved in the process of interaction.


RESULTS
Our results showed that both Fucoidan and alginate had an excellent potential as inhibitors of COX-1 and COX-2. Fucoidan had a better potential as an inhibitor of COX than alginate. COX inhibition was expected to provide a more favorable effect on inflammation-related pathological conditions.


CONCLUSIONS
The active compounds Fucoidan and alginate derived from Sargassum sp. were suspected to possess a good potential as inhibitors of COX-1 and COX-2.
Department of Pharmacology, Medical Faculty, Hang Tuah University, Surabaya, East Java, Indonesia. Address: Jl. Gadung No. 1, Surabaya, East Java, Indonesia.
Lestari
L
Dewi
D000464:Alginates / Q000494:pharmacology*; D003198:Computer Simulation; D051545:Cyclooxygenase 1 / Q000378:metabolism*; D051546:Cyclooxygenase 2 / Q000378:metabolism*; D016861:Cyclooxygenase Inhibitors / Q000494:pharmacology*; D004347:Drug Interactions; D020723:Glucuronic Acid / Q000494:pharmacology; D006603:Hexuronic Acids / Q000494:pharmacology; D011134:Polysaccharides / Q000494:pharmacology*; D044647:Sargassum / Q000737:chemistry*
D000464:Alginates; D016861:Cyclooxygenase Inhibitors; D006603:Hexuronic Acids; D011134:Polysaccharides; D020723:Glucuronic Acid; C007789:fucoidan; D051545:Cyclooxygenase 1; D051546:Cyclooxygenase 2; C496511:PTGS1 protein, human; C496540:PTGS2 protein, human
COX-1; COX-2; Fucoidan; Sargassum sp; alginate