In silico anticholesterol of Monacolin from Monascus sp. on HMG-CoA protein receptor

Abstract

Monascus sp. has traditionally been used in fermenting red rice (angkak) which is useful as a food coloring, food preservative and medicine. Currently, Angkak rice has become a well-known dietary supplement because of the many bioactive compounds it contains such as monacolin. The purpose of this study was to determine the activity of monacolin compounds as anticholesterol, as well as predict the toxicity of compounds through in silico studies. The test compound consisted of 14 monacolin compounds. The protein HMG CoA (3-hydroxy-3-methylglutaryl coenzyme A) reductase is used as an anticholesterol receptor. Toxicity prediction and docking results showed that monacolin L has the best anticholesterol activity against HMG CoA reductase. The molecular dynamic results show that monacolin L is stable, it has a low conformational energy value of -10.22 kcal/mol and there are two amino acids that form hydrogen bonds with the active site of the receptor namely Arg A:568 and His A:752, and has 5 acid residues namely Ser A:565, Leu A:853, Arg A:568, His A:752, Leu A:562.