Cancer Cell Research

Objective: This study aims to elucidate the mechanism of Xuefu Zhuyu decoction (XFZY) in treating lower limb venous thrombosis (LLVT) using network pharmacology and molecular docking technology. Methods: The active ingredients and corresponding targets of XFZY were determined through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform, PubChem, and SwissTargetPrediction databases. LLVT-related targets were searched from the Human Gene and Online Mendelian Inheritance in Man databases. Intersection targets were subjected to protein-protein interaction (PPI) network construction using the STRING database, with core targets identified based on their betweenness. Cytoscape was used to construct a “drug-component-target” network, and major compounds were screened out according to the betweenness. Gene Ontology (GO) and Kyoto Encyclopedia of Genes Genomes (KEGG) pathways enrichment analyses were conducted using the Metascape database. Molecular docking validation was carried out using AutoDock 1.5.7. Results: A total of 154 active constituents were identified, including major compounds such as baicalin, luteolin and flavanones. PPI, GO, and KEGG highlighted key targets for LLVT, including TP53, SRC and HSP90AA1, with major signaling pathways like PI3K-Akt, MAPK, and Rap1 pathways, involving various biological processes such as cancer, cell migration and phosphorylation. Stable complexes could be formed between the active constituents of XFZY and target proteins. Conclusion: This study provides preliminary insights into the multi- component, multi-target, and multi-pathway therapeutic mechanisms of XFZY for LLVT, laying a foundation for its clinical development. Full article