天津中医药大学学报2024，Vol.43Issue(4)：292-301,10.DOI:10.11656/j.issn.1673-9043.2024.04.02
基于网络药理学和分子对接的宣肺败毒方治疗急性呼吸窘迫综合征的机制及验证研究
Mechanism and confirmatory study of Xuanfei Baidu Decoction on treating ARDS based on network pharmacology and molecular docking
摘要
Abstract
[Objective]Explored and confirmed the mechanism of Xuanfei Baidu Decoction on acute respiratory distress syndrome(ARDS)by network pharmacology and molecular docking.[Methods]The active components of mahuang,cangzhu,huoxiang,qinghao,huzhang,mabiancao,yiyiren,lugen,tinglizi,kuxingren,huajuhong and gancao in Xuanfei Baidu Decoction were collected and screened by TCMSP and active component-target network was constructed.Genecards,SwissTargetPrediction and Uniprot database was used to obtain the disease targets of ARDS and target proteins network was constructed,DAVID database was used to perform gene ontology(GO)and KEGG pathway enrichment analysis.Components and key targets were docked by Schrödinger software to verify the binding energy.In order to confirmed the result of network pharmacology,ARDS rat were constructed by lipopolysaccharides and continuously sponsored the stomach for 28 days by Xuanfei Baidu Decoction.The interleukin(IL)-2,IL-4,IL-6,IL-10 and tumor Necrsis Factor(TNF)-ɑ,Interfereon(IFN)-γ in alveolar lavage fluid,the Glutathione(GSH),Malondialdehyde(MDA),Superoxidismutase(SOD)and Glutathione Peroxidase 4(GPX4)in lung tissues were analyzed by flow cytometry and ELISA assay.[Results]There were 205 active components which quercetin,kaempferol,β-sitosterol,stigmasterol,luteolin,isorhamnetin,naringenin and glabridin were top 8 degree value components,107 Hub targets which Jun,IL-6,TP53,AKT1,ALB,VEGFA,STAT3,CASP3,IL-1β and PTGS2 were top 10 degree value targets in Xiaoxianxiong Decoction for ARDS treatment.Bioinformation analysis showed the signaling pathway of IL-7,TNF and Toll-like receptor was related to the treatment of ARDS by Xuanfei Baidu Decoction.There was a low binding energy between key active components and ferroptosis related protein such as PTGS2 by molecular docking.Xuanfei Baidu Decoction could revise the abnormal inflammatory factor in alveolar lavage fluid and oxidation-reduction disbalance in lung tissues which inducted by lipopolysaccharides in rat model.[Conclusion]The mechanism of Xuanfei Baidu Decoction treat ARDS was related with releasing the oxidative damage and apoptosis,regulating inflammation signaling pathway,reducing inflammatory recruitment and cytokines secretion,and ferroptosis inhibition may be play an important role.关键词
宣肺败毒方/急性呼吸窘迫综合征/网络药理学/铁死亡Key words
Xuanfei Baidu Decoction/acute respiratory distress syndrome/network pharmacology/ferroptosis分类
医药卫生引用本文复制引用
郝婷,马英,焦扬,宋佑坤,刘树业,朱彧..基于网络药理学和分子对接的宣肺败毒方治疗急性呼吸窘迫综合征的机制及验证研究[J].天津中医药大学学报,2024,43(4):292-301,10.基金项目
天津市中医药重点领域科研项目(2022008) （2022008）
天津市医学重点学科(专科)建设项目(TJYXZDXK-047A). （专科）
