Combinatorial chemistry & high throughput screening · 2026
Integrative Network Pharmacology, Molecular docking and Experimental Validation Uncover the Mechanism of Detoxifying Fumigation and Washing Granules against Hemorrhoids.
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Chang Zhi, Shao Xuhong, Li Yuhua, Zhang Fang, Zeng Liwen, Li Wenbo, Si Meidong, Jiang Yaping, Zhou Ru
Аннотация
INTRODUCTION: Hemorrhoids significantly impair the quality of life of patients, primarily manifesting as pain, bleeding, and prolapse. Detoxifying fumigation and washing granules (DFWG), a traditional Chinese medicine, have demonstrated potential for alleviating hemorrhoids; however, its underlying mechanisms of action have yet to be fully elucidated. This study aimed to investigate the putative active constituents and possible mechanisms of DFWG in the treatment of hemorrhoids.
METHODS: Active compounds in DFWG were identified through network pharmacology, and targets were screened using protein-protein interaction (PPI) network analysis. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analyses were performed to identify core signaling pathways, and in vivo validation was conducted in a rat model of perianal edema.
RESULTS: Network pharmacology identified 328 active compounds and 1020 targets from DFWG, along with 314 hemorrhoid-related targets, yielding 46 overlapping targets. PPI analysis revealed 10 core targets, while GO and KEGG analyses indicated roles in regulating apoptosis and inflammation. Molecular docking results indicated that the binding energies between core target proteins and compounds were consistently below -5.0 kcal/mol. In vivo, DFWG reduced perianal swelling and rectoanal coefficient in model rats, lowered serum IL-1β, TNF-α, and IL-6, and suppressed p-NF-κB p65/NF-κB p65 expression in perianal tissues.
DISCUSSION: The findings of network pharmacology indicate that DFWG primarily alleviates hemorrhoidal symptoms by modulating key inflammatory mediators. This mechanism is further supported by the observed reduction in inflammatory responses in model rats, along with concurrent improvements in pathological manifestations.
CONCLUSION: DFWG exerts protective effects against hemorrhoids in rats, likely by suppressing inflammation.
METHODS: Active compounds in DFWG were identified through network pharmacology, and targets were screened using protein-protein interaction (PPI) network analysis. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analyses were performed to identify core signaling pathways, and in vivo validation was conducted in a rat model of perianal edema.
RESULTS: Network pharmacology identified 328 active compounds and 1020 targets from DFWG, along with 314 hemorrhoid-related targets, yielding 46 overlapping targets. PPI analysis revealed 10 core targets, while GO and KEGG analyses indicated roles in regulating apoptosis and inflammation. Molecular docking results indicated that the binding energies between core target proteins and compounds were consistently below -5.0 kcal/mol. In vivo, DFWG reduced perianal swelling and rectoanal coefficient in model rats, lowered serum IL-1β, TNF-α, and IL-6, and suppressed p-NF-κB p65/NF-κB p65 expression in perianal tissues.
DISCUSSION: The findings of network pharmacology indicate that DFWG primarily alleviates hemorrhoidal symptoms by modulating key inflammatory mediators. This mechanism is further supported by the observed reduction in inflammatory responses in model rats, along with concurrent improvements in pathological manifestations.
CONCLUSION: DFWG exerts protective effects against hemorrhoids in rats, likely by suppressing inflammation.