ArticleActa medica Philippina2025
In-Silico Screening of HMG-CoA Reductase Inhibition Potential from
Article in Acta medica Philippina, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Background: Hypercholesterolemia is one of the most important risk factors in causing coronary heart disease. Hypercholesterolemia occurs because cholesterol synthesis in the body increases. The key enzyme of the cholesterol synthesis is hydroxymethylglutaryl-CoA (HMG-CoA) reductase. Drugs that inhibit HMG-CoA reductase activity such as statins are effective in inhibiting cholesterol synthesis. The problem arises because these drugs have many side effects. The use of natural ingredients as traditional medicine has been practiced by communities for generations. This has led to massive exploration and scientific studies on the biological activities of these medicinal plants. Objective: Using an in-silico method, this study aimed to explore the pharmacokinetic and toxicity predictions, as well as the HMG-CoA reductase inhibitor activity of "Binahong" ( Methods: To collect samples, the Kanaya Knapsack database, USDA Dr Duke Phytochemical, PubChem, and Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) were used. To predict the activity of the active compounds, Pass Online software was used. To complete the drug-likeness analysis, the Lipinski rule of five and the Swiss Absorption, Distribution, Metabolism and Excretion (ADME) were employed. Protox II was used to predict the toxicity of the active compounds. Next, with PyRx v.0.9.8 software, molecular docking is utilized to do molecular screening. BioVia Discovery Studio 2019 was employed for data visualization. Results: A number of the bioactive compounds of Conclusion: Both
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