Molecular docking bioactive compound from Strobilanthes crispus to decrease cholesterol levels
Rita Arbianti, Amalia Larasati, Tania Surya Utami, Yuswan Muharam, Slamet Slamet · AIP conference proceedings · 2021
Hypercholesterolemia is a disease caused by an increase in the concentration of cholesterol in the blood. One non-pharmacological treatment using herbal plants such as Strobilanthes crispus. This plant has flavonoid and phytosterols content that has been proven to reduce cholesterol levels in the blood. In this study, molecular docking was conducted to screen for the bioactive compounds that correspond to the interaction of the protein. Quercetin and β-sitosterol compounds are then docked using Autoodock Tools-1.5.6 to see the results of their affinity score for the HMG-CoA reductase enzyme. The affinity results obtained from quercetin, β-sitosterol and reference compounds (simvastatin) are -7.8 kcal/mol; -7.1 kcal/mol; and -6.1 kcal/mol. This shows that quercetin has the best affinity score for the inhibition of HMG-CoA reductase enzyme when compared with β-sitosterol and reference compounds.