Mechanism investigation of Linggui Zhugan Decoction in the treatment of coronary heart disease based on network pharmacology and molecular docking
Linggui Zhugan Decoction is a classic prescription that has been clinically demonstrated to be effective for the treatment of coronary heart disease(CHD).However,the precise mechanism of action through which it exerts its therapeutic effect is still not fully understood due to its complex molecular components and diverse pharmacological activities.Thus,we aimed to utilize the network pharmacology approach to understand the mechanism of action of Linggui Zhugan Decoction in treating coronary heart disease,and perform molecular docking for initial verification.The 103 active ingredients of Linggui Zhugan Decoction were obtained through the TCMSP database,while 4618 CHD-related targets were sourced from GeneCards and DisGeNET databases.The intersection targets of Linggui Zhugan Decoction and CHD were imported into the Cytoscape3.9.1 software in order to construct a network of the"Linggui Zhugan Decoction-active ingredients-CHD targets".By using the STRING database,the interactions between the intersection targets were identified,leading to the selection of core targets such as AKT1,TP53,STAT3,etc.,as well as the drawing of the PPI network.GO and KEGG enrichment analysis were carried out utilizing intersection targets from the David database,which indicated that Linggui Zhugan Decoction was involved in multiple biological processes,comprising of cell apoptosis,cell proliferation,angiogenesis,cholesterol metabolism,inflammatory response,response to lipopolysaccharide,hypoxia and tumor necrosis factor,as well as signaling pathways such as AGE-RAGE,Lipid and atherosclerosis,Fluid shear stress and atherosclerosis.The binding between the main active ingredients and main targets was predicted to be strong through molecular docking.Linggui Zhugan Decoction has been shown to be therapeutically effective for coronary heart disease,due to its list of components:quercetin,kaempferol,naringenin,isorhamnetin,and formononetin,all of which target proteins such as AKT1,TP53,STAT3,IL-6,EGFR et al.,affecting the AGE-RAG,lipid and atherosclerosis,fluid shear stress and atherosclerosis,and other signaling pathways.
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