Network Pharmacology-Based Prediction of the Mechanistic Targets of CHKG in Treating Postpartum Hemorrhage

Chan-Hou-Kang-Gao (CHKG) is a classical traditional Chinese medicine (TCM) formula widely used to promote uterine involution and manage postpartum hemorrhage (PPH). However, the pharmacological basis and molecular mechanisms of CHKG in treating PPH remain largely unclear.

Ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS) was employed to systematically identify the chemical constituents of CHKG. Network pharmacology was used to predict active compounds, potential targets, and relevant signaling pathways. Protein-protein interaction (PPI) analysis and molecular docking were performed to validate the interactions between key compounds and therapeutic targets.

A total of 173 compounds were identified in CHKG, including flavonoids, triterpenoids, and phenolic acids. Integration with public databases revealed 67 common targets shared between CHKG-related compounds and PPH-related genes. Enrichment analysis suggested that CHKG may modulate pathways involved in inflammation, immune regulation, and vascular function. TNF, IL6, and PTGS2 were identified as potential key targets. Molecular docking and molecular dynamics (MD) simulations indicated stable binding of ursolic acid, asiatic acid, and kaempferol to these proteins.

This study provides a systems-level prediction of the mechanisms by which CHKG may exert therapeutic effects in PPH, particularly via inflammation- and coagulationrelated pathways. These findings generate mechanistic hypotheses; however, further in vitro or in vivo experimental validation is required to confirm bioactivity and clinical relevance.