Integrating network pharmacology and machine learning to analyze the multi-target molecular mechanism of compound Huangbai liquid in promoting wound healing of perianal abscess
10.16753/j.cnki.1008-2344.2025.04.003
- VernacularTitle:基于网络药理学与机器学习融合策略解析复方黄柏液调控肛周脓肿创面愈合的多靶点分子机制
- Author:
Weichao YUAN
1
;
Chengwen XUE
1
;
Tao WANG
1
;
Linghui YU
1
;
Lixia ZHU
1
Author Information
1. 九江学院附属医院肛肠科,江西 九江 332000
- Publication Type:Journal Article
- Keywords:
network pharmacology;
machine learning;
compound Huangbai liquid;
perianal abscess;
wound healing
- From:
Journal of Shenyang Medical College
2025;27(4):350-358
- CountryChina
- Language:Chinese
-
Abstract:
Objective:To investigate the key targets and mechanisms of compound Huangbai liquid in promoting wound healing of perianal abscess using network pharmacology and machine learning.Methods:Active components of compound Huangbai liquid and their target genes were screened and corrected using the TCMSP and HERB databases.Target genes related to wound healing were collected from the GeneCard and GEO databases.Common targets were identified using SangerBox online tool,followed by KEGG and GO enrichment analyses to explore potential biological functions.A PPI network was constructed to analyze core gene interactions,and immune cell infiltration was evaluated using the CIBERSORT algorithm.Key genes were screened using machine learning methods such as Boruta,random forest,XGBoost,and SVM-RFE.Finally,the binding affinity between active components and target genes was validated using AutoDock Vina.Results:Four key target genes(CYP19A1,IL10RA,ALOXE3,EGFR)were significantly correlated with components such as quercetin and berberine.These genes were involved in PI3K-Akt signaling pathway,and closely related to immune response and cell proliferation.The PPI network showed that these genes played important roles in angiogenesis and cell adhesion.Immune infiltration analysis showed that key genes were strongly correlated with immune cells such as macrophages.Conclusion:Compound Huangbai liquid may promote wound healing in perianal abscess by regulating multiple biological pathways and immune responses.
