基于网络药理学与分子对接技术探讨人参-五味子药对治疗COPD的作用机制OA

Objective To explore the main active components and mechanism of ginseng-Schisandra chinensis herb pair in the treatment of chronic obstructive pulmonary disease(COPD)using network pharmacology and molecular docking technology.Methods Potential active components of ginseng and Schisandra chinensis as well as their corresponding therapeutic targets were screened using TCMSP,SwissTargetPrediction,and PharmMapper databases.Therapeutic targets of COPD were retrieved and obtained from OMIM,GeneCards,and TTD databases.Potential therapeutic targets of ginseng and Schisandra chinensis for COPD treatment were identified by mapping a Venn diagram of overlapping targets.The protein-protein interaction(PPI)network was constructed and topologi-cal analysis was performed using the STRING database.GO functional annotation and KEGG pathway enrichment analyses were conducted with DAVID database.Molecular docking verification was implemented by AutoDockTools to evaluate binding affinity.Results Through database retrieval,30 active components,2,541 drug targets of gin-seng and Schisandra chinensis,10,430 disease targets of COPD,and 335 overlapping targets were identified.PPI a-nalysis revealed that the top 10 targets ranked by degree included AKT serine/threonine kinase 1(AKT1),tumor necrosis factor(TNF),etc.GO functional annotation and KEGG pathway enrichment analyses indicated that these targets were mainly enriched in processes such as phosphorylation and ATP binding,and the ginseng-Schisandra chinensis herb pair may exert its therapeutic effect on COPD by regulating signaling pathways including AGE-RAGE,PI3K-AKT,and cAMP.Molecular docking results demonstrated that the target proteins exhibited strong binding affinity with the key active components.Conclusion The ginseng-Schisandra chinensis herb pair can exert its therapeutic effect on COPD through a synergistic multi-target and multi-pathway mode of action.