沙棘醇提取物对痤疮丙酸杆菌抑制作用及机制初探

A Preliminary Investigation on the Inhibitory Effect and Mechanism of Sea Buckthorn Alcohol Extract on Propionibacterium Acnes

目的 比较沙棘醇提取物不同萃取部位对痤疮丙酸杆菌的抑制作用,基于网络药理学和分子对接初探沙棘治疗痤疮的机制。方法 制备沙棘醇提取物不同萃取部位,通过牛津杯法测定抑菌圈直径,评价抑菌效果。运用数据库对沙棘黄酮类成分、靶点及痤疮相关靶点进行预测筛选;借助Metascape数据库对共同靶点进行基因本体(Gene Ontology,GO)功能富集和京都基因和基因组数据库(Kyoto Encyclopedia of Genes and Genomes,KEGG)通路富集分析;利用Cytoscape3.8.2软件构建“成分-靶点-通路”图;使用AutoDock软件进行分子对接。结果 沙棘醇提取物乙酸乙酯层、正丁醇层和水层对痤疮丙酸杆菌均有抑制作用,其中乙酸乙酯层和正丁醇层效果明显。经过网络药理学筛选出沙棘黄酮类12个有效成分,潜在治疗靶点49个,主要通路有内分泌抵抗信号通路(endocrine resistance signaling pathway)、IL-17信号通路、VEGF信号通路等,关键成分槲皮素与AKT1、EGFR、PTGS2结合能力良好。结论 沙棘醇提取物乙酸乙酯层和正丁醇层对痤疮丙酸杆菌有明显的抑制作用且优于水层,通过网络药理学和分子对接说明沙棘治疗痤疮具有多靶点、多通路的特点,为治疗痤疮提供新方案。

Objective To compare the inhibitory effect of ethanolic extract of sea buckthorn from Liaoning province on Propionibacterium acnes at different extraction sites and to apply network pharmacology and molecular docking to investigate the mechanism of sea buckthorn in the treatment of acne in the first place.Methods After preparing the extracts of different parts of sea buckthorn,the diameter of the inhibition circle was determined by Oxford cup method to evaluate the inhibition effect.The active ingredients,targets and sore-related targets of sea buckthorn were screened by using the database;the common targets were enriched by GO function and KEGG pathway with the help of Metascape database;the“ingredient-target-pathway”diagram was constructed by using Cytoscape3.8.2 software,and AutoDock was used for molecular docking.Results The ethyl acetate,n-butanol and aqueous layers of the sea buckthorn alcoholic extracts all showed inhibitory effects on Propionibacterium acnes,with the ethyl acetate and n-butanol layers having significant effects.After network pharmacology screening,12 active ingredients of sea buckthorn flavonoids were identified,with 49 potential therapeutic targets,including endocrine resistance signaling pathway,IL-17 signaling pathway,VEGF signaling pathway,etc.The key ingredient quercetin has good binding ability with AKT1,EGFR and PTGS2.Conclusion The ethyl acetate and n-butanol layers of sea buckthorn alcohol extract showed significant inhibitory effects on Propionibacterium acnes and were superior to the aqueous layer.Through network pharmacology and molecular docking,it was shown that sea buckthorn has multi-target and multi-pathway characteristics in the treatment of acne,providing a new solution for the treatment of acne.