【作者】 仝立国； 宋美卿； 吉海杰； 牛艳艳； 贾力莉； 冯玛莉；

【Author】 Tong Liguo;Song Meiqing;Ji Haijie;Niu Yanyan;Jia Lili;Feng Mali;Shanxi Academy of Traditional Chinese Medicine;

【机构】 山西省中医药物研究院；

【摘要】 目的:探讨"莪术-黄芪"药对抗肿瘤作用的物质基础和作用机制。方法:从中药系统药理学数据库与分析平台(TCMSP)中寻找莪术与黄芪相关的所有化学成分,根据其作用的靶点及相关疾病,从中筛选出与抗肿瘤作用相关的成分及靶点,再选择油水分配系数(AlogP)在-0.4~5.6之间、化学成分分子量(M)在160~480之间,药物口服生物利用度(OB)>30%的成分作为候选化合物,进而构建药物-靶点相互作用网络图。结果:从TCMSP中找到与黄芪有关的化学成分有174个,与莪术相关的化学成分有162个。其中与抗肿瘤作用相关的化学成分共有29个成分,通过AlogP、M和OB进一步筛选出22个成分。通过构建药物-靶点相互作用网络图可知22个候选成分涉及作用的靶点有30个,其度(degree)值前五位的成分为槲皮素(quercetin)(19),山奈酚(kaempferol)(12),7-O-methylisomucronulatol(7-O-methylisomucronulatol)(9),异鼠李素(isorhamnetin)(8),芒柄花黄素(formononetin)(8),度值前五为的靶点蛋白为二肽基肽酶Ⅳ(Dipeptidyl peptidaseⅣ)(14),热休克蛋白90(Heat shock protein HSP90)(12),雌激素受体蛋白(Estrogen receptor)(12),细胞分裂蛋白激酶2(Celldivision proteinkinase 2)(9),雄激素受体(Androgen receptor)(8)。结论:通过研究初步确定了莪术-黄芪药对抗肿瘤作用的物质基础及其作用机制,为进一步深入研究奠定了良好的基础。更多还原

【Abstract】 Objective:To explore the material basis and mechanism of "Zedoarya curcuma" in anti-tumor effect.Methods:Methods:All chemical constituents of Curcuma and Astragalus were selected from TCM pharmacology database and analytical platform(TCMSP).According to their target and related diseases,the components and targets related to anti-tumor effect were screened out,and taken AlogP between-0.4 and 5.6,the molecular weight(M) between 160 and 480,the oral bioavailability(OB)> 30%of the ingredients as a candidate compound,,and then build drug-Target interaction network diagram.Results:There were 174 chemical constituents related to Astragalusmembranaceus from TCMSP,and 162 were related to zedoaryae.The chemical constituents associated with the anti-tumor effect were 29 components,and 22 components were further screened by AlogP,M and OB,By constructing a drug-target interaction network,it was found that there were 30 targets for 22 candidate components,and the degree of the first five components were quercetin(19),kaempferol(12),7-O-methylisomucronulatol(9),isorhamnetin(8),formononetin(8),the degree of the first five target protein were Dipeptidyl peptidase IV(14),Heat shock protein HSP 90(12),Estrogen receptor(12),Cell division protein kinase 2(9),Androgen receptor(8).Conclusion:The material basis and mechanism of the anti-tumor effect of Curcuma phaeophylla and Astragalusmembranaceus were preliminarily determined by the study,Which laid a good foundation for further study.更多还原