Discovery of molecular mechanism of a clinical herbal formula upregulating serum HDL-c levels in treatment of metabolic syndrome by in vivo and computational studies.

摘要: Abstract Decreased HDL cholesterol (HDL-c) is considered as an independent risk factor of cardiovascular disease in metabolic syndrome (Mets). Wendan decoction (WDD), a famous clinical traditional Chinese medicine formula Mets China, which can obviously up-regulate serum HDL-c levels Mets. However, till now, the molecular mechanism up-regulation still remained unclear. In this study, integrated approach that combined ABCA1 vivo assay, QSAR modeling and docking was developed to explore chemical substance basis WDD upregulating levels. Compared with model group, intervened by two different doses for weeks were significantly up-regulated. Then, kohonen LDA applied develop models up-regulators based flavonoids. The derived produced overall accuracy 100%, very powerful tool screening up-regulators. prediction revealed 67 flavonoids Finally, they subjected understand their roles up-regulating expression, led discovery 23 targeting LXR beta. Overall, studies well accounted observed activities affected WDD.