基于网络药理学探讨四君子汤治疗阿尔茨海默病(AD)的作用机制。借助TCMSP数据库及Uniprot数据库筛选出四君子汤有效成分及靶点基因。通过Drugbank、Dis Ge NET和TTD数据库筛选出阿尔茨海默病的靶点基因;成分靶点与疾病靶点映射后使用Cyt...基于网络药理学探讨四君子汤治疗阿尔茨海默病(AD)的作用机制。借助TCMSP数据库及Uniprot数据库筛选出四君子汤有效成分及靶点基因。通过Drugbank、Dis Ge NET和TTD数据库筛选出阿尔茨海默病的靶点基因;成分靶点与疾病靶点映射后使用Cytoscape 3.7.1软件构建药物有效成分-靶点蛋白相互作用网络,使用String数据库绘制靶点蛋白-靶点蛋白相互作用网络;对靶点蛋白利用Metascape数据库进行GO分析和KEGG分析,最后采用荧光实时定量PCR对网络药理学主要分析结果进行验证。分析结果表明,四君子汤主要关联AD的β淀粉样蛋白聚集、细胞凋亡、炎症反应、氧化应激反应、自噬、胰岛素代谢等;体外实验提示,四君子汤参与调控APP介导的β淀粉样蛋白聚集,Caspase-3、Bcl-2、Bax介导的细胞凋亡,MAOB介导的氧化应激反应,mTOR介导的自噬,以及INSR介导的胰岛素代谢等通路。综上四君子汤治疗AD具有多成分、多靶点的特点,可为进一步研究其作用机制提供依据。展开更多
基于网络药理学探讨大黄治疗阿尔茨海默病(AD)的作用机制。借助TCMSP数据库及Uniprot数据库筛选出大黄有效成分及靶点基因。通过Drugbank、Dis Ge NET和TTD数据库筛选出阿尔茨海默病的靶点基因;成分靶点与疾病靶点映射后使用Cytoscape 3...基于网络药理学探讨大黄治疗阿尔茨海默病(AD)的作用机制。借助TCMSP数据库及Uniprot数据库筛选出大黄有效成分及靶点基因。通过Drugbank、Dis Ge NET和TTD数据库筛选出阿尔茨海默病的靶点基因;成分靶点与疾病靶点映射后使用Cytoscape 3.7.1软件构建药物有效成分-靶点蛋白相互作用网络,使用String数据库绘制靶点蛋白-靶点蛋白相互作用网络;对靶点蛋白利用Metascape数据库进行GO分析和KEGG分析,最后采用MTT实验、ELISA法、比色法和荧光实时定量PCR对网络药理学主要分析结果进行验证。研究共筛选出大黄的有效成分17个,对应靶点276个,与阿尔茨海默病相关靶点共107个,KEGG相关信号通路前10条,GO分析前20个生物学过程。细胞实验证实了大黄能有效提高PC12细胞的细胞存活率及抑制PC12细胞的炎症反应、细胞凋亡、氧化应激反应,并促进PI3K/Akt/Nrf2/HO-1信号通路的激活,下调NF-κB信号通路。大黄主要是通过抗炎、抗凋亡、抗氧化应激等对阿尔茨海默病产生重要的治疗作用,为后续临床治疗阿尔茨海默病提供新的思路。展开更多
A simulation study of the transition properties of microstructures of liquid metal Al during heating and cooling processes has been performed by the molecular dynamics method. It is demonstrated that in the temperatur...A simulation study of the transition properties of microstructures of liquid metal Al during heating and cooling processes has been performed by the molecular dynamics method. It is demonstrated that in the temperature range of 1800-350K, the 1551, 1541, 1431, 1311, 1321 and 1422 bond types represented by the Honeycutt Andersen index play an important role. Especially, the 1551 bond type plays a leading role and is the decisive factor for the change of the second peak of the pair distribution function from a smooth sine peak into two split secondary peaks via a platform during all the processes of microstructure transitions. From the variation curve of the 1551 bond type, it can be clearly seen that there are five rapidly changing ranges corresponding qualitatively to the critical transition points of microstructures of the system detected experimentally.展开更多
For digitalization of traditional Chinese medicine(TCM),research is being conducted on objectivization of diagnosis and treatment,mathematical models of TCM theories,and application of modern information technology to...For digitalization of traditional Chinese medicine(TCM),research is being conducted on objectivization of diagnosis and treatment,mathematical models of TCM theories,and application of modern information technology to digitize the vast amounts of existing information.However,the author believes that TCM practitioners should first conduct a systematic and comprehensive refined analysis on the knowledge of TCM and unify data elements used in computer intelligence to avoid ambiguity.Thus,we must overcome the epistemological constraints and carefully analyze the relationship among data elements to achieve systematic results and administer TCM appropriately.展开更多
文摘基于网络药理学探讨四君子汤治疗阿尔茨海默病(AD)的作用机制。借助TCMSP数据库及Uniprot数据库筛选出四君子汤有效成分及靶点基因。通过Drugbank、Dis Ge NET和TTD数据库筛选出阿尔茨海默病的靶点基因;成分靶点与疾病靶点映射后使用Cytoscape 3.7.1软件构建药物有效成分-靶点蛋白相互作用网络,使用String数据库绘制靶点蛋白-靶点蛋白相互作用网络;对靶点蛋白利用Metascape数据库进行GO分析和KEGG分析,最后采用荧光实时定量PCR对网络药理学主要分析结果进行验证。分析结果表明,四君子汤主要关联AD的β淀粉样蛋白聚集、细胞凋亡、炎症反应、氧化应激反应、自噬、胰岛素代谢等;体外实验提示,四君子汤参与调控APP介导的β淀粉样蛋白聚集,Caspase-3、Bcl-2、Bax介导的细胞凋亡,MAOB介导的氧化应激反应,mTOR介导的自噬,以及INSR介导的胰岛素代谢等通路。综上四君子汤治疗AD具有多成分、多靶点的特点,可为进一步研究其作用机制提供依据。
文摘基于网络药理学探讨大黄治疗阿尔茨海默病(AD)的作用机制。借助TCMSP数据库及Uniprot数据库筛选出大黄有效成分及靶点基因。通过Drugbank、Dis Ge NET和TTD数据库筛选出阿尔茨海默病的靶点基因;成分靶点与疾病靶点映射后使用Cytoscape 3.7.1软件构建药物有效成分-靶点蛋白相互作用网络,使用String数据库绘制靶点蛋白-靶点蛋白相互作用网络;对靶点蛋白利用Metascape数据库进行GO分析和KEGG分析,最后采用MTT实验、ELISA法、比色法和荧光实时定量PCR对网络药理学主要分析结果进行验证。研究共筛选出大黄的有效成分17个,对应靶点276个,与阿尔茨海默病相关靶点共107个,KEGG相关信号通路前10条,GO分析前20个生物学过程。细胞实验证实了大黄能有效提高PC12细胞的细胞存活率及抑制PC12细胞的炎症反应、细胞凋亡、氧化应激反应,并促进PI3K/Akt/Nrf2/HO-1信号通路的激活,下调NF-κB信号通路。大黄主要是通过抗炎、抗凋亡、抗氧化应激等对阿尔茨海默病产生重要的治疗作用,为后续临床治疗阿尔茨海默病提供新的思路。
基金Supported by the National Natural Science Foundation of China under Grant No.59871016。
文摘A simulation study of the transition properties of microstructures of liquid metal Al during heating and cooling processes has been performed by the molecular dynamics method. It is demonstrated that in the temperature range of 1800-350K, the 1551, 1541, 1431, 1311, 1321 and 1422 bond types represented by the Honeycutt Andersen index play an important role. Especially, the 1551 bond type plays a leading role and is the decisive factor for the change of the second peak of the pair distribution function from a smooth sine peak into two split secondary peaks via a platform during all the processes of microstructure transitions. From the variation curve of the 1551 bond type, it can be clearly seen that there are five rapidly changing ranges corresponding qualitatively to the critical transition points of microstructures of the system detected experimentally.
基金the funding support from the National Natural Science Foundation of China(No.81373702)
文摘For digitalization of traditional Chinese medicine(TCM),research is being conducted on objectivization of diagnosis and treatment,mathematical models of TCM theories,and application of modern information technology to digitize the vast amounts of existing information.However,the author believes that TCM practitioners should first conduct a systematic and comprehensive refined analysis on the knowledge of TCM and unify data elements used in computer intelligence to avoid ambiguity.Thus,we must overcome the epistemological constraints and carefully analyze the relationship among data elements to achieve systematic results and administer TCM appropriately.
