The thermodynamic partitioning behavior of solutes into immobilized artificial membrane(IAM) and n-octanol/water systems was investigated, including acidic,basic,and amphoteric substances.In an n-octanol/buffer system,partitioning process was entropy-dominated for the most studied drugs,while partitioning of oxolinic and nalidixic acids into n-octanol phase was enthalpy-driven.In IAM chromatography,partitioning into membrane for the studied solutes was enthalpy-driven and an exothermal process.In conclusion,there is a significant difference of solutes′ partitioning mechanism into either IAM or an n-octanol phase,therefore,presenting the theoretical basis for differing lipophilicity measuring scale.
目的采用网络毒理学的方法预测并分析鱼腥草中主要活性物质的相关毒性作用机制。方法通过中药系统药理数据库和分析平台(traditional chinese medicine systems pharmacology database and analysis platform,TCMSP)比较毒物基因组学数据库(the comparative toxicogenomics database,CTD)筛选出鱼腥草中6种有毒活性成分,并用Swiss Target Prediction服务器预测有毒活性成分的靶点信息,进而使用Cytoscape软件构建了有毒活性成分-靶点互作网络以及靶点之间的互作网络。使用DAVID(the database for annotation,visualization and integrated discovery)数据库,进行基因本体分析以及京都基因和基因组百科全书通路富集分析,得出了鱼腥草中有毒物质可能通过哪些通路对人体产生危害。结果研究结果显示,鱼腥草有毒活性成分对应的联系度最高的蛋白PTGS2、PRSS1、MAPT、SLC6A2等以及有毒活性成分可能通过Toll样受体信号通路、MAPK信号通路、Nod样受体信号通路、RIG-I样受体信号通路、mTOR信号通路引起过敏反应;可能抑制中枢神经系统;还可能通过对细胞凋亡的调节引起其他自身免疫系统疾病。结论初步探究了鱼腥草的毒理机制,并预测了鱼腥草可能存在的毒性,并为预测中药成分的毒性以及探究毒性机制提供了新思路。
