Integration of molecular docking, molecular dynamics simulations, and free energy calculations identifies a novel flavonoid glycoside as a PCSK9 inhibitor for hypercholesterolemia.
Molecular modeling identified natural product-based compounds that could prevent harmful cholesterol receptor degradation.
Proprotein convertase subtilisin/kexin type 9 (PCSK9) significantly influences plasma low-density lipoprotein cholesterol (LDL-C) homeostasis by promoting the degradation of LDL receptors. This study provides a theoretical basis for the development of natural product-based non-peptide therapeutics for the prevention and treatment of cardiovascular diseases.
What the study was
- Study design
- Not specified
- Category
- Prevention
- Maturity
- Exploratory
- Journal
- Scientific reports
Why it surfaced
Matched topic(s): general surveillance. Study design: Not specified. Score 5/10.
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