基于网络药理学与分子对接探讨苦丁茶治疗高脂血症的作用机制OA

This study systematically analyzed the active components of Kuding tea in treating hyperlipidemia(HLP)and their molecular mechanisms of action,providing a pharmacological basis for its clinical application.By using network pharmacology combined with molecular docking technology,the active components of Kuding tea were screened through the TCMSP database,and the targets were obtained and standardized with the help of Uniprot,PubChem and SwissTarget Prediction databases.The targets related to HLP were collected from the GeneCards and OMIM databases,and the common targets of drugs and diseases were screened through the Venny 2.1.0 platform.The protein-protein interaction(PPI)network was constructed using the STRING database,and the core targets were screened through topological analysis with Cytoscape 3.10.3 software.GO functional annotation and KEGG pathway enrichment analysis were conducted through the David database,and molecular docking verification and visualization were carried out with the help of AutoDock Tools-1.5.7 and PyMOL software.The network pharmacology analysis identified 9 active components of Kuding tea,335 drug targets,1 700 HLP-related targets,and 101 common drug-disease targets.The main active components include quercetin,kaempferol,pimecrolimus acid,etc.The key targets include tumor necrosis factor(TNF),interleukin 6(IL6),peroxisome proliferator-activated receptor gamma(PPARG),etc.GO analysis yielded 363 BP entries,45 CC entries,and 98 MF entries.KEGG pathway enrichment analysis suggested that Kuding tea may exert its effects through pathways such as ovarian steroidogenesis,adipocyte lipolysis regulation,steroid hormone biosynthesis,Th1 and Th2 cell differentiation,Salmonella infection,and phospholipase D signaling.Molecular docking results showed that the main active components had low binding energies with the core targets and good binding stability.Kuding tea may play a role in lowering lipids through the synergistic effect of"multi-component,multi-target and multi-pathway"to regulate the targets related to lipid metabolism and inflammatory response.This study provides a scientific basis for the clinical application of Kuding tea in treating HLP and related drug development.