基于网络药理学和分子对接技术探究岗梅治疗炎症的作用机制

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【Abstract】Objective To explore the anti-inflammatory mechanism Ilex asprella by using network pharmacologymoleculardocking technologyto analyze its keyactive components core targets. MethodsThe chemical constituents Ilexasprella were retrieved collectedby Traditional Chinese Medicine Systems Pharmacology Database Analysis Platform （TCMSP）， the chemical constituents were screened by ADMET.The human gene data bank（Gene Cards）was used to retrieve the gene data the inflammation-related disease target.The jvenn website was used to screen out the intersection targets. Cytoscapestware wasused to constructthe drug-active ingredient-target network diagram Ilex asprell antiinflammatory.The intersection target Ilex asprella inflammation wasusedas theprediction target， thestring database （STRING）was used to construct the PPI protein interaction network to screenout the core targets.Gene Ontology enrichment analysis Kyoto Encyclopedia Genes Genomes pathway enrichment analysiswere performedusing the DAVID database.Auto Tools stware wasused to dock the active substances with the core targets， Pymol wasused to visualize the results.ResultsSix active components， 45targets 12 key targets were screenedout.The results molecular docking showed thatthe core active components Ilexasprella have a high affinity with the core target.ConclusionIlexasprella has multicomponent，multi-target， multiple mechanisms actionin the treatment inflammation．Medioresinol， quercetin，kaempferol， other core active ingredients in the Ilexasprela mayact on core targets such as tumor necrosis factor（TNF），Tol-like receptor 4（TLR4） prostaglin-endoperoxide synthase2（PTGS 2）by participating inthe regulation inflammatory signaling pathways，thusplaying arole in the treatment inflammation

【Key Words】 Ilex asprella； Inflammation； Network pharmacology；Molecular docking

岗梅为冬青属植物梅叶冬青的干燥根及根茎，始载于《生草药性备要》，其性凉，味苦、微甘，入肺、脾、胃经，具有清热解毒、生津止渴、利咽消肿、散止痛的功效；主治肺热咳嗽、热病津伤口渴、咽喉肿痛及跌打癡痛[1。（剩余7126字）