A systematic study of chemogenomics of carbohydrates
文献类型：期刊论文
| 作者 | Gu, Jiangyong; Luo, Fang; Chen, Lirong; Yuan, Gu; Xu, Xiaojie |
| 刊名 | MOLECULAR BIOSYSTEMS
 |
| 出版日期 | 2014 |
| 卷号 | 10期号:3页码:391-397 |
| ISSN号 | 1742-206X |
| 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. |
| 语种 | 英语 |
| WOS记录号 | WOS:000330798200005 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/50701]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Chen, Lirong |
| 作者单位 | Peking Univ, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China |
| 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]. MOLECULAR BIOSYSTEMS,2014,10(3):391-397. |
| APA | Gu, Jiangyong,Luo, Fang,Chen, Lirong,Yuan, Gu,&Xu, Xiaojie.(2014).A systematic study of chemogenomics of carbohydrates.MOLECULAR BIOSYSTEMS,10(3),391-397. |
| MLA | Gu, Jiangyong,et al."A systematic study of chemogenomics of carbohydrates".MOLECULAR BIOSYSTEMS 10.3(2014):391-397. |
入库方式： OAI收割
来源：化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。