The cyanidin-3-O-glucoside of Black Rice inhibits the interaction of HMG-CoA and HMG-CoA Reductase: three-and two-dimension structure

The hypercholesterolemia condition is one metabolic disorder has affected to onset and prevalence of the dyslipidemia and cardiovascular disease. The cholesterol synthesized from HMG-CoA by co-enzyme HMG-CoA reductase. The research focus was to determine the effect of Cyanidin-O-glucose of black rice to prevent the HMG-CoA and HMG-CoA reductase interaction. The anthocyanins retrieved from the database of PubChem, is cyanidin-3-O-glucoside (CID: 12303221). We obtained HMG-CoA canonical SMILES (CID: 445127) from PubChem and reconstructed it using VEGAZZ software. RCSB Protein Data Bank (PDB) was used as a database to get the 3D structures of HMGR (PDB ID: 1DQ9). The water molecules and or previously existing ligands incorporated in their 3D structures were removed using Discovery Studio 2019. The docking results were visualized and analyzed by Discovery Studio, and Hex 8.0.0 software. This result determined that cyaniding-O-glucose of black rice prevented the interaction between HMG-CoA into HMG-CoA reductase respectively. This result indicates that the cyaniding-O-glucose of black rice has potential function as lowering cholesterol biosynthesis.