Objective  To explore the potential effective components and possible action mechanisms of anticoagulant effect of Sojae Semen Praeparatum.

Methods  The chemical components of the decoction of Sojae Semen Praeparatum were analyzed by ultra-high performance liquid chromatography-quadrupole-electrostatic orbitrap-high-resolution mass spectrometry (UPLC-Q-Exactive-Orbitrap MS) technology. Network pharmacology was used to predict and analyze the key effective components, core targets and signal pathways. Molecular docking and molecular dynamics simulation techniques were applied to verify the binding between key effective componets and core targets.

Results  Key effective components of Sojae Semen Praeparatum for anticogulation were obtained, such as adenine, salicylic acid and kaempferol, etc. Core targets were determined, such as ALB, IL6, TNF, INS, AKT1, IL1B, IL10, AGT, CRP and ACE, etc., involving key pathways such as the advanced glycation end product-advanced glycation end product receptor (AGE-RAGE) signaling pathway in diabetic complications, lipid and atherosclerosis, etc. The results of molecular docking showed good binding between key effective components and core targets. Molecular dynamics simulations further revealed the stability of the binding between the complexes.

Conclusion  Sojae Semen Praeparatum may exert anticoagulant effects through multiple components, multiple targets and multiple pathways, providing a reference for further in-depth research.

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