SIMULATION OF MOLECULAR DOCKING FATTY ACID CONSTITUENTS OF SNAKEHEAD FISH (Channa striata) ON FFAR4/GPR120

Abstract

In diabetes (Type 2 DM) the production of pro-inflammatory cytokines is high. FFAR4/GPR120 is a free fatty acid receptor that plays a role in reducing pro-inflammatory cytokines. This study was conducted with the aim of estimating the interaction of fatty acid constituents in snakehead fish with FFAR4. The crystal structure of FFAR4 protein was made using homology modeling, the test compounds were used using Marvin Sketch, BDS and MVD were used for docking simulation and visualization. Melatonin receptor type 1B with a Seq Identity value of 26.69% was chosen as a template in homology modeling to produce the FFAR4 model (Ramachandran Favored (91.67%)). Research shows DHA with a rerank score of -78.843 has the best binding between the other 2 fatty acids.

Keywords:    Channa striata, DHA, free fatty acid, hyperglycemia