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

Abstract

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.

Nutraceutical Activity of Anthocyanins from the Edible Berries of Rhamnus pompana

“…From studied anthocyanins, only cyanidin‐3‐O‐rutinoside and pelargonidin‐3‐O‐rutinoside showed moderate activity on HMG‐CoA reductase (Table 2). To the best of our knowledge, there is not any other biochemical evidence suggesting the interaction of this anthocyanin with HMG‐CoA reductase, however, recent in silico approaches advise that cyanidin‐3‐O‐glucoside from black rice inhibits the interaction of HMG‐CoA with HMG‐CoA reductase [19] …”

“…To the best of our knowledge, there is not any other biochemical evidence suggesting the interaction of this anthocyanin with HMG-CoA reductase, however, recent in silico approaches advise that cyanidin-3-O-glucoside from black rice inhibits the interaction of HMG-CoA with HMG-CoA reductase. [19] RPAF had an evident anti-ODC activity (IC 50 , 150 μg mL À 1 ) (Table 2). Interestingly, all assayed anthocyanins showed differential inhibitory capacity on this enzyme (p < 0.05).…”

Black rice cultivar from Java Island of Indonesia revealed genomic, proteomic, and anthocyanin nutritional value

“…Cyanidin-3-O-glucoside and peonidin-3-O-glucoside are predicted to have anti-apoptosis effect by inhibiting caspase-3 (Sari et al, 2020a). In vivo and in-silico studies have proven that black rice anthocyanins act against obesity and adipogenesis (Fatchiyah et al, 2020b, Fatchiyah et al,2020cSari et al, 2020b). In the current study, , anthocyanins were not detected in RREJ red rice fraction containing pigment.…”

“…Several studies identified malvidin (Chen et al, 2012) and proanthocyanidin, rather than anthocyanins, as the pigments found in high amounts Figure 4. Summary of genomic, proteomic, and anthocyanin profiles in black rice from Java island, numerical superscripts indicate the data derived from previous studies: 1 (Fatchiyah et al, 2020a), 2 (Fatchiyah et al, 2020b), 3 (Sari et al, 2020b), 4 (Sari et al, 2019a).…”

Potensi Aegiceras corniculatum (L.) Blanco sebagai inhibitor enzim HMGCoA reductase

“…Ki (Konstanta Penghambatan ) nilai kompleks statin-enzim berkisar antara 0,1 hingga 2,3 nM, sedangkan konstanta Michaelis, untuk HMG-CoA adalah 4 M. Proteinnya membentuk tetramer yang terkait erat dengan situs aktif bi-partit, yang bertetangga monomer menyumbangkan residu menjadi aktif situs. Kantong pengikat HMG ditandai dengan lingkaran (residu 682-694, disebut sebagai "cis loop") [8]. Karena statin bersifat kompetitif sehubungan dengan HMG-CoA, itu sepertinya bagiannya mirip pengikatan HMG pada situs aktif enzim.…”