Study on the Mechanism of Tianxiangdan Against Atherosclerosis Based on UPLC-MS/MS Combined Network Pharmacology and Molecular Docking Technology
SUN Longfei
GUO Longlong
WU Jiarui
LONG Linzi
ZHANG Baojian
ZHANG Li
ZHANG Xiaxia
GULIKAMALI Niyazi
JIANG Shubin
AN Dongqing
Abstract：Objective Based on the ultra high performance liquid chromatography tandem mass spectrometry(UPLC-MS/MS),network pharmacology and molecular docking technology,to systematically analyze the multi-target mechanism of Tianxiangdan against atherosclerosis(AS).Methods UPLC-MS/MS was used to determine the effective active ingredients of Tianxiangdan,and the components of Tianxiangdan were qualitatively and quantitatively analyzed by mass spectrometry to obtain mass spectrometry analysis data.Predict potential anti AS targets of Tianxiangdan through database retrieval and network analysis,and construct an active ingredient target network;Conduct molecular docking studies on the active ingredients and potential targets of Tianxiangdan,construct the interaction network between target proteins and genes,and analyze them.Results The effective active ingredients of Tianxiangdan were determined by UPLC-MS/MS,and the active ingredients of tanshinone IIA,quercetin,luteolin,kaempferol,kaempferide,salidroside,resveratrol,diosmetin,naringenin,and catechin were obtained.Network pharmacology predicted 139 potential targets and 10 active ingredients for Tianxiangdan in treating AS.Through topological analysis of protein-protein interaction networks,the following 10 key targets of Tianxiangdan for treating AS were identified:tumor necrosis factor,protein kinase B,interleukin-6,interleukin-1β,insulin,prostaglandin endoperoxide synthase 2,tumor protein p53,matrix metalloproteinase 9,estrogen receptor 1,and mitogen activated protein kinase 3.Gene ontology enrichment analysis shows that Tianxiangdan can regulate the occurrence and development process of AS through multiple pathways.Kyoto Encyclopedia of Genes and Genomes pathway analysis shows that Tianxiangdan may exert anti AS effects by regulating multiple metabolic pathways such as Toll like receptor signaling pathway,nuclear factor kappa B signaling pathway,and NOD like receptor signaling pathway.Conclusion The mechanism of action of Tianxiangdan against AS has the characteristics of multi-target and multi pathway.It mainly achieves therapeutic effects by regulating key inflammation related pathways such as Toll like receptor signaling pathway,nuclear factor kappa B signaling pathway,and NOD like receptor signaling pathway.
Keywords：Tianxiangdanatherosclerosismechanism of action
Publication Date：2026-01-20
Online Publishing Date：2026-07-17(First online date of this platform, not the publication date of the document)
Pages：10( 23-32 )