The bromination of paeonol with bromine and copper(Ⅱ)bromide was studied.The target compounds were different because of the different solvents.When paeonol was brominated with reagents like bromine in anhydrous dieth...The bromination of paeonol with bromine and copper(Ⅱ)bromide was studied.The target compounds were different because of the different solvents.When paeonol was brominated with reagents like bromine in anhydrous diethyl ether and anhydrous aluminium trichloride,5bromo4methoxy2hydroxyacetophenone was obtained.The yield was 445%.Like cupric bromide in chloroformethyl acetate and anhydrous ethanol,the yield we obtained ωbromo4methoxy5bromo2hydroxyacetophenone was 475%.Paeonol was selectively brominated by copper(Ⅱ)bromide in anhydrous methanol(or chloroformethyl acetate)to give ωbromo4methoxy2hydroxyacetophenone in yield of 633%(or 487%).The structures of the target compounds were characterized by IR,1H NMR and MS.展开更多
[目的]通过网络药理学的方法分析清肺达原颗粒(Qingfei Dayuan Granules,QFDYKL)治疗新型冠状病毒肺炎(corona virus disease 2019,COVID-19)的潜在机制。[方法]从中药系统药理学数据库与分析平台(Traditional Chinese Medicine Systems...[目的]通过网络药理学的方法分析清肺达原颗粒(Qingfei Dayuan Granules,QFDYKL)治疗新型冠状病毒肺炎(corona virus disease 2019,COVID-19)的潜在机制。[方法]从中药系统药理学数据库与分析平台(Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,TCMSP)、Pubchem、Uniprot等数据库中获取QFDYKL的活性成分和作用靶点,再对靶点基因进行基因本体(gene ontology,GO)与京都基因与基因组百科全书(Kyoto Encyclopedia of Genes and Genomes,KEGG)富集分析,将靶点导入String数据库,运用Cytoscape 3.7.0软件构建"成分-靶点"网络,分析并确定QFDYKL中的核心成分。绘制蛋白互作(protein-protein interaction,PPI)网络,并使用分子复合物检测(molecular complex detection,MCODE)确定功能模块与hub基因。[结果]共得到有效活性成分182个,相关的蛋白质靶点454个。网络拓扑分析结果显示,QFDYKL主要成分为芍药新苷(lactiflorin)、甘草酸(glycyrrhizic acid)、芍药二酮(palbinone)等;主要靶点为雌激素受体1(estrogen receptor 1,ESR1)、雄激素受体(androgen receptor,AR)、前列腺素内过氧化物合酶2(prostaglandin-endoperoxide synthase 2,PTGS2)等。KEGG通路主要涉及丝裂原活化蛋白激酶(mitogen-activated protein kinase,MAPK)、表皮生长因子受体(epidermal growth factor receptor,EGFR/ErbB)、肾素血管紧张素系统(renin angiotensin systems,RAS)、钙等信号通路,涉及炎症免疫、解热镇痛等方面。磷酸肌醇-3-激酶催化亚基α肽(phosphoinositide-3-kinase subunitα,PIK3CA)、淀粉样β蛋白前体(amyloidβprecursor protein,APP)、90kDa热休克蛋白αA1(heat shock protein 90kDaαA1,HSP90AA1)等为QFDYKL发挥治疗作用的核心靶点。[结论]QFDYKL中主要成分芍药新苷、甘草酸、芍药二酮等可能通过作用于PIK3CA、APP等核心靶点来调节炎症免疫、解热镇痛等过程,发挥治疗COVID-19的作用。展开更多
文摘The bromination of paeonol with bromine and copper(Ⅱ)bromide was studied.The target compounds were different because of the different solvents.When paeonol was brominated with reagents like bromine in anhydrous diethyl ether and anhydrous aluminium trichloride,5bromo4methoxy2hydroxyacetophenone was obtained.The yield was 445%.Like cupric bromide in chloroformethyl acetate and anhydrous ethanol,the yield we obtained ωbromo4methoxy5bromo2hydroxyacetophenone was 475%.Paeonol was selectively brominated by copper(Ⅱ)bromide in anhydrous methanol(or chloroformethyl acetate)to give ωbromo4methoxy2hydroxyacetophenone in yield of 633%(or 487%).The structures of the target compounds were characterized by IR,1H NMR and MS.
