#TITLE_ALTERNATIVE#

• Main Author: ANANDIA INTAN MAULIDYA NIM: 20716314, SELVIRA
• Format: Theses
• Language: Indonesia
• Online Access: https://digilib.itb.ac.id/gdl/view/30864
• Institution: Institut Teknologi Bandung

The fungus Monascus sp. has traditionally been used to prepare red fermented rice <br /> <br /> (angkak) as a natural food colorant, food preservative or medicinal agent. <br /> <br /> Recently, it has become a popular dietary supplement due to many of its bioactive <br /> <br /> constituents such as monacolin compounds, pigments, and dimerumic acid, etc. <br /> <br /> These functional constituents also had been deemed to be provided with various <br /> <br /> health benefits. Monacolin K, a 3-hydroxy-3-methylglutaryl coenzyme A (HMG- <br /> <br /> CoA) reductase inhibitor, can reduce cholesterol biosynthesis in human liver. The <br /> <br /> azaphilonoid pigments have exhibited antiinflammatory, antitumor and anticancer <br /> <br /> effect. The aim of this research was to find monacolin compounds with <br /> <br /> antihypercholesterolemic effect, Monascus pigment with anticancer effect on breast <br /> <br /> cancer, and predict their toxicity through in silico study. 14 monacolin compounds <br /> <br /> and 33 Monascus pigments were docked to receptors. HMG CoA reductase protein <br /> <br /> was used as antihypercholesterolemic receptor where as estrogen alfa, estrogen <br /> <br /> beta, and aromatase were used as anticancer receptors. The 3-dimensional <br /> <br /> structure of the receptors was obtained from the Protein Data Bank. AutoDock <br /> <br /> docking software was used to analyze structural complexes of the receptors with <br /> <br /> studied compounds. Toxicity prediction was done using ADMET predictor and <br /> <br /> QSAR Toolbox softwares. Toxicity prediction and docking results revealed that <br /> <br /> monacolin L acid exhibits good antihypercholesterolemic activity towards HMG <br /> <br /> CoA reductase; monascin pigment exhibits selective anticancer activity towards <br /> <br /> estrogen beta receptor; and both of them were predicted to be safe. Toxicity <br /> <br /> prediction of studied compounds showed that 7 monacolin compounds and 5 <br /> <br /> Monascus pigments are not toxic, 10 Monascus pigments have mutagenic <br /> <br /> properties, 4 monacolin compounds and 5 Monascus pigments have carcinogenic <br /> <br /> properties, 1 monacolin compound and 11 Monascus pigments have reprotoxic <br /> <br /> properties, and also 6 Monascus pigments have mutagenic, carcinogenic and <br /> <br /> reprotoxic properties. The research results could be useful for the design and <br /> <br /> development of the antihypercholesterolemic and anticancer. <br />