Mechanisms of β-Sitosterol against sepsis-induced coagulopathy based on data mining and network pharmacology

doi:10.19803/j.1672-8629.20250732

Abstract

Abstract: Objective To explore the properties, flavors, and channel tropism of traditional Chinese medicines (TCMs) containing β-Sitosterol, and to study the potential molecular mechanisms of β-Sitosterol against sepsis-induced coagulopathy (SIC) by integrating network pharmacology and molecular dynamics (MD) in order to provide data for the prevention and treatment of SIC. Methods We screened TCMs containing β-Sitosterol and identified their potential targets via databases before analyzing the taste, property and meridian tropism of related herbs. SIC-related targets were retrieved from the GeneCards, OMIM, and TTD databases while the intersection of these targets was identified using Venny 2.1.0. Protein-protein interaction (PPI) networks were used to identify key targets, followed by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses. Molecular docking was used to validate the affinity between β-Sitosterol and core targets, and molecular dynamics simulations were performed to evaluate the stability of β-Sitosterol binding to these targets. Results Data mining found that β-Sitosterol-containing TCMs were predominantly categorized as “heat-clearing” drugs, which were bitter in flavor and cold in nature and belonged to the liver meridian. A total of 14 intersection targets between β-Sitosterol and SIC were identified. Pathway enrichment analysis suggested that the underlying mechanisms involved the T-cell receptor signaling pathway and the FOXO signaling pathway. Molecular docking results showed strong binding affinity between β-Sitosterol and the core targets. MD simulations confirmed that β-Sitostero formed stable protein-ligand complexes with target proteins such as TNF and SHH. Conclusion This study finds that β-Sitosterol may exert therapeutic effects against SIC by targeting multiple proteins, including TNF and SHH, and modulating signaling pathways such as the T-cell receptor and FOXO.

Key words: β-Sitosterol, Sepsis-Induced Coagulopathy, TNF, SHH, T-Cell Receptor, FOXO Signaling Pathways, Data Mining, Network Pharmacology, Molecular Dynamics Simulation

CLC Number:

R978
R994.11

Li Yajing, Chen Tengfei, Wang Xuerui, Xu Xiaolong, Liu Qingquan. Mechanisms of β-Sitosterol against sepsis-induced coagulopathy based on data mining and network pharmacology[J]. Chinese Journal of Pharmacovigilance, 2026, 23(7): 733-738.

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URL: https://zgywjj.magtechjournal.com/EN/10.19803/j.1672-8629.20250732

https://zgywjj.magtechjournal.com/EN/Y2026/V23/I7/733

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