Chemomics and drug innovation  

作　　者：XU Jun GU Qiong LIU HaiBo ZHOU JiaJu BU XianZhang HUANG ZhiShu LU Gui LI Ding WEI DongQing WANG Ling GU LianQuan 

机构地区：[1]Research Center for Drug Discovery (RCDD),School of Pharmaceutical Sciences and Institute of Human Virology,Sun Yat-Sen University [2]Institute of Medicinal Plant Development,Peking Union Medical College,Chinese Academy of Medical Sciences [3]Biostatistics College of Life Sciences and Biotechnology,Shanghai Jiaotong University

出　　处：《Science China Chemistry》2013年第1期71-85,共15页中国科学（化学英文版）

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);the Introduction of Innovative R&D Team Program of Guangdong Province (2009010058);the National Natural Science Foundation of China (81173470)

摘　　要：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.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.

关 键 词：chemomics CHEMOINFORMATICS BIOINFORMATICS drug innovation biomimetic synthesis 

分 类 号：R284[医药卫生—中药学]