采用硅胶、凝胶(Sephadex LH-20), ODS柱和高效液相色谱等色谱分离技术从广藿香(Pogostemon cablin)地上部分的乙酸乙酯相中分离得到了一个新的杜松烷型倍半萜pogocablene P (1)和一个具有环己酮结构的新天然产物pogocablone A (2),并...采用硅胶、凝胶(Sephadex LH-20), ODS柱和高效液相色谱等色谱分离技术从广藿香(Pogostemon cablin)地上部分的乙酸乙酯相中分离得到了一个新的杜松烷型倍半萜pogocablene P (1)和一个具有环己酮结构的新天然产物pogocablone A (2),并通过质谱和核磁共振等波谱学方法确定了这两个化合物的结构。同时,借助计算ECD的方法确定了化合物2的绝对构型。另外,对化合物1和2进行了抗流感病毒和抗炎活性评价。展开更多
Chemomics is an interdisciplinary study using approaches from chemoinformatics,bioinformatics,synthetic chemistry,and other related disciplines.Biological systems make natural products from endogenous small molecules ...Chemomics is an interdisciplinary study using approaches from chemoinformatics,bioinformatics,synthetic chemistry,and other related disciplines.Biological systems make natural products from endogenous small molecules (natural product building blocks) through a sequence of enzyme catalytic reactions.For each reaction,the natural product building blocks may contribute a group of atoms to the target natural product.We describe this group of atoms as a chemoyl.A chemome is the complete set of chemoyls in an organism.Chemomics studies chemomes and the principles of natural product syntheses and evolutions.Driven by survival and reproductive demands,biological systems have developed effective protocols to synthesize natural products in order to respond to environmental changes;this results in biological and chemical diversity.In recent years,it has been realized that one of the bottlenecks in drug discovery is the lack of chemical resources for drug screening.Chemomics may solve this problem by revealing the rules governing the creation of chemical diversity in biological systems,and by developing biomimetic synthesis approaches to make quasi natural product libraries for drug screening.This treatise introduces chemomics and outlines its contents and potential applications in the fields of drug innovation.展开更多
文摘采用硅胶、凝胶(Sephadex LH-20), ODS柱和高效液相色谱等色谱分离技术从广藿香(Pogostemon cablin)地上部分的乙酸乙酯相中分离得到了一个新的杜松烷型倍半萜pogocablene P (1)和一个具有环己酮结构的新天然产物pogocablone A (2),并通过质谱和核磁共振等波谱学方法确定了这两个化合物的结构。同时,借助计算ECD的方法确定了化合物2的绝对构型。另外,对化合物1和2进行了抗流感病毒和抗炎活性评价。
基金supported by the National Science and Technology Major Project of China (2010ZX09102-305)the National High-tech R&D Program of China (863 Program,2012AA020307)+1 种基金the Introduction of Innovative R&D Team Program of Guangdong Province (2009010058)the National Natural Science Foundation of China (81173470)
文摘Chemomics is an interdisciplinary study using approaches from chemoinformatics,bioinformatics,synthetic chemistry,and other related disciplines.Biological systems make natural products from endogenous small molecules (natural product building blocks) through a sequence of enzyme catalytic reactions.For each reaction,the natural product building blocks may contribute a group of atoms to the target natural product.We describe this group of atoms as a chemoyl.A chemome is the complete set of chemoyls in an organism.Chemomics studies chemomes and the principles of natural product syntheses and evolutions.Driven by survival and reproductive demands,biological systems have developed effective protocols to synthesize natural products in order to respond to environmental changes;this results in biological and chemical diversity.In recent years,it has been realized that one of the bottlenecks in drug discovery is the lack of chemical resources for drug screening.Chemomics may solve this problem by revealing the rules governing the creation of chemical diversity in biological systems,and by developing biomimetic synthesis approaches to make quasi natural product libraries for drug screening.This treatise introduces chemomics and outlines its contents and potential applications in the fields of drug innovation.
