Medicinal Uses of Single Garlic in Hyperlipidemia by Fatty Acid Synthase Enzyme Inhibitory: Molecular Docking

International Conference on Life Sciences and Technology

Rahayu Lestari, Sri^1 ; Lukiati, Betty^1 ; Nur Arifah, Siti^1 ; Rofiqotun Nurul Alimah, Alif^1 ; Gofur, Abdul^1

Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, Jl. Semarang 5, Malang

65145, Indonesia^1

关键词: Absorption process;    Cardio-vascular disease;    Fatty acid synthase;    Hyperlipidemia;    Lipid metabolisms;    Molecular docking;    Organosulfur compounds;    Single garlic;   

Others  :  https://iopscience.iop.org/article/10.1088/1755-1315/276/1/012008/pdf
DOI  :  10.1088/1755-1315/276/1/012008

来源: IOP

【 摘 要 】

Lipid is a substance needed for the body as various activities, such as forming a plasma membrane. Lipid will be digested and absorbed through the digestive system in the form of fatty acids and glycerol. Metabolism of lipid into fatty acids and glycerol and the absorption process in the body involves various kinds of enzymes; one of them is Fatty Acid Synthase (FAS). Excess lipid in the body will cause various diseases, such as obesity and cardiovascular diseases. Treatment for excess in lipid level is usually by using synthetic drugs such as statins, but excessive consumption of drug causes various side effects. Single garlic (Allium sativum) (SG) is widely used as an herb that can treat diverse diseases. SG contains organosulfur compounds including Allicin, Alliin, and Ajoene (E-Ajoene and Z-Ajoene). This study aimed to determine the potential of organosulfur compounds in SG as inhibitors of fatty acid synthase (FAS) enzymes which play a role in the process of lipid metabolism. The molecular docking was used to determine the interaction of organosulfur compounds compared with controls (Statins) in the FAS enzyme. Molecular Docking began by taking organosulfur SG compounds and enzymes in PubChem online services and GDP in sequence. The enzyme was sterilized using PyMol software, followed by a docking process, visualization and interaction of ligands on enzyme were carried out using PyRx, PyMol, and LigPlot+ software consecutively. The results showed that organosulfur SG compounds had potential as inhibitor of FAS enzymes. The Allicin, E-Ajoene, and Z-Ajoene had the same binding site with Statins in the FAS enzyme. Based on molecular docking results, it is known that the active compounds found in SG could act as an inhibitor for FAS enzymes which play a role in de novo lipogenesis.