A systematic study of chemogenomics of carbohydrates

doi:10.1039/c3mb70534j

CORC > 北京大学 > 化学与分子工程学院

	A systematic study of chemogenomics of carbohydrates
	Gu, Jiangyong ; Luo, Fang ; Chen, Lirong ; Yuan, Gu ; Xu, Xiaojie
刊名	分子生物系统
	2014
关键词	DRUG DISCOVERY CHEMICAL SPACE NETWORK PHARMACOLOGY POLYPHARMACOLOGY BIOLOGY DESIGN MEDICINES RESPONSES
DOI	10.1039/c3mb70534j
英文摘要	Chemogenomics focuses on the interactions between biologically active molecules and protein targets for drug discovery. Carbohydrates are the most abundant compounds in natural products. Compared with other drugs, the carbohydrate drugs show weaker side effects. Searching for multi-target carbohydrate drugs can be regarded as a solution to improve therapeutic efficacy and safety. In this work, we collected 60 344 carbohydrates from the Universal Natural Products Database (UNPD) and explored the chemical space of carbohydrates by principal component analysis. We found that there is a large quantity of potential lead compounds among carbohydrates. Then we explored the potential of carbohydrates in drug discovery by using a network-based multi-target computational approach. All carbohydrates were docked to 2389 target proteins. The most potential carbohydrates for drug discovery and their indications were predicted based on a docking score-weighted prediction model. We also explored the interactions between carbohydrates and target proteins to find the pathological networks, potential drug candidates and new indications.; Biochemistry & Molecular Biology; SCI(E); PubMed; 3; ARTICLE; lirongc@pku.edu.cn; xiaojxu@pku.edu.cn; 3; 391-397; 10
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/149767]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Gu, Jiangyong,Luo, Fang,Chen, Lirong,et al. A systematic study of chemogenomics of carbohydrates[J]. 分子生物系统,2014.
APA	Gu, Jiangyong,Luo, Fang,Chen, Lirong,Yuan, Gu,&Xu, Xiaojie.(2014).A systematic study of chemogenomics of carbohydrates.分子生物系统.
MLA	Gu, Jiangyong,et al."A systematic study of chemogenomics of carbohydrates".分子生物系统 (2014).