In silico analysis reveals the potential of myricetin of red rice bran east java as inhibitor for the advanced glycation end products (AGEs)-Receptor (RAGE) signaling pathway

Abstract

Advanced Glycemic End Products (AGEs) contribute to diabetes, neurodegenerative diseases, micro, and macrovascular complications through their interaction with RAGE. Myricetin is one of the potential flavonoids found in red rice bran in East Java. Myricetin in red rice bran may interfere with the AGEs-RAGE signaling, therefore the potential mechanism of their interaction needs to be explained. This study aims to investigate the potency of myricetin in red rice bran as an inhibitor of the AGE-RAGE signaling pathway through in silico analysis. Myricetin compounds and AGEs as ligands were taken out from PubChem and Receptor for AGEs (RAGE) from the RCSB Protein Data Bank. Both ligands and RAGE were established by Hex 8.0.0 then visualized using Discovery Studio 2020. Results show that the formation of the AGEs-myricetin-RAGE complex showed that myricetin bound to argypirimidine with a binding energy of -340.6 kcal/mol. Based on the binding site locations and energy, myricetin might have a biological function as an inhibitor of AGEs-RAGE interactions which was more likely through the establishment of the AGEs-myricetin-RAGE complex. This study suggests that myricetin in red rice bran can be a potential AGEs-RAGE inhibitor.