To discover new lead compounds for M1 agonists. Ten typical M1 agonists were superimposed to build a M1 agonists 3D-pharmacophore model using distance-comparisons (DISCO) method without the previous knowledge of the...To discover new lead compounds for M1 agonists. Ten typical M1 agonists were superimposed to build a M1 agonists 3D-pharmacophore model using distance-comparisons (DISCO) method without the previous knowledge of the three-dimensional structure of M1 receptor. Virtual screening strategy was used to analyze the Available Chemicals Directory-Screening Compounds (ACD-SC) to identify possible new hits. Twenty-two compounds which fit the pharmacophore model well and are not similar with known M1 agonists were purchased in order to evaluate their M1 receptor agonist activity. One of them shows M1 receptor agonist activity with EC50 of 4.90 μmol/L and maximum response. Multiple of 10.0 which shows it worthy of further study as a new lead compound for M1 agonists.展开更多
对未来R&D经费总量及其与GDP比值进行科学的预测是制定科技发展规划的重要组成部分.提出一种定量分析预测方法———利用多变量灰色MGM(1,n)模型(mu lti-variab le grey model),研究R&D投入与GDP所形成的复杂系统变量之间的相...对未来R&D经费总量及其与GDP比值进行科学的预测是制定科技发展规划的重要组成部分.提出一种定量分析预测方法———利用多变量灰色MGM(1,n)模型(mu lti-variab le grey model),研究R&D投入与GDP所形成的复杂系统变量之间的相互影响关系,对天津市相关数据资料进行实证分析与中长期预测,为政府相关部门制订科学的科技发展规划提供有益的指导作用.展开更多
基金National Natural Science Foundation of China (Grant No. 30271538)985 program,Ministry of Education of China
文摘To discover new lead compounds for M1 agonists. Ten typical M1 agonists were superimposed to build a M1 agonists 3D-pharmacophore model using distance-comparisons (DISCO) method without the previous knowledge of the three-dimensional structure of M1 receptor. Virtual screening strategy was used to analyze the Available Chemicals Directory-Screening Compounds (ACD-SC) to identify possible new hits. Twenty-two compounds which fit the pharmacophore model well and are not similar with known M1 agonists were purchased in order to evaluate their M1 receptor agonist activity. One of them shows M1 receptor agonist activity with EC50 of 4.90 μmol/L and maximum response. Multiple of 10.0 which shows it worthy of further study as a new lead compound for M1 agonists.
文摘对未来R&D经费总量及其与GDP比值进行科学的预测是制定科技发展规划的重要组成部分.提出一种定量分析预测方法———利用多变量灰色MGM(1,n)模型(mu lti-variab le grey model),研究R&D投入与GDP所形成的复杂系统变量之间的相互影响关系,对天津市相关数据资料进行实证分析与中长期预测,为政府相关部门制订科学的科技发展规划提供有益的指导作用.