Prediction of Drug Indications Based on Chemical Interactions and Chemical Similarities
文献类型：期刊论文
| 作者 | Huang, Guohua1,2; Lu, Yin3; Lu, Changhong4; Zheng, Mingyue3 ; Cai, Yu-Dong1
|
| 刊名 | BIOMED RESEARCH INTERNATIONAL
 |
| 出版日期 | 2015 |
| ISSN号 | 2314-6133 |
| DOI | 10.1155/2015/584546 |
| 文献子类 | Article |
| 英文摘要 | Discovering potential indications of novel or approved drugs is a key step in drug development. Previous computational approaches could be categorized into disease-centric and drug-centric based on the starting point of the issues or small-scaled application and large-scale application according to the diversity of the datasets. Here, a classifier has been constructed to predict the indications of a drug based on the assumption that interactive/associated drugs or drugs with similar structures are more likely to target the same diseases using a large drug indication dataset. To examine the classifier, it was conducted on a dataset with 1,573 drugs retrieved from Comprehensive Medicinal Chemistry database for five times, evaluated by 5-fold cross-validation, yielding five 1st order prediction accuracies that were all approximately 51.48%. Meanwhile, the model yielded an accuracy rate of 50.00% for the 1st order prediction by independent test on a dataset with 32 other drugs in which drug repositioning has been confirmed. Interestingly, some clinically repurposed drug indications that were not included in the datasets are successfully identified by our method. These results suggest that our method may become a useful tool to associate novel molecules with new indications or alternative indications with existing drugs. |
| WOS关键词 | AMINO-ACID-COMPOSITION ; SUPPORT VECTOR MACHINE ; ACUTE MYELOID-LEUKEMIA ; ZOLEDRONIC ACID ; SUBCELLULAR-LOCALIZATION ; DISEASE RELATIONSHIPS ; PROSTATE-CANCER ; EXISTING DRUGS ; KERNEL METHODS ; DISCOVERY |
| 资助项目 | National Basic Research Program of China[2011CB510101] ; National Basic Research Program of China[2011CB510102] ; Innovation Program of Shanghai Municipal Education Commission[12ZZ087] ; "The First-Class Discipline of Universities in Shanghai," National Science Foundation of China[31371335] ; "The First-Class Discipline of Universities in Shanghai," National Science Foundation of China[11371008] ; "The First-Class Discipline of Universities in Shanghai," National Science Foundation of China[91230201] ; Scientific Research Fund of Hunan Provincial Science and Technology Department[2014FJ3013] ; Hunan National Science Foundation[11JJ5001] ; Scientific Research Fund of Hunan Provincial Education Department[11C1125] |
| WOS研究方向 | Biotechnology & Applied Microbiology ; Research & Experimental Medicine |
| 语种 | 英语 |
| WOS记录号 | WOS:000351376200001 |
| 出版者 | HINDAWI LTD |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/276745]  |
| 专题 | 药物发现与设计中心 中科院受体结构与功能重点实验室 新药研究国家重点实验室 |
| 通讯作者 | Zheng, Mingyue |
| 作者单位 | 1.Shanghai Univ, Inst Syst Biol, Shanghai 200444, Peoples R China; 2.Shaoyang Univ, Dept Math, Shaoyang 422000, Hunan, Peoples R China; 3.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Shanghai 201203, Peoples R China; 4.E China Normal Univ, Dept Math, Shanghai 200241, Peoples R China |
| 推荐引用方式 GB/T 7714 | Huang, Guohua,Lu, Yin,Lu, Changhong,et al. Prediction of Drug Indications Based on Chemical Interactions and Chemical Similarities[J]. BIOMED RESEARCH INTERNATIONAL,2015. |
| APA | Huang, Guohua,Lu, Yin,Lu, Changhong,Zheng, Mingyue,&Cai, Yu-Dong.(2015).Prediction of Drug Indications Based on Chemical Interactions and Chemical Similarities.BIOMED RESEARCH INTERNATIONAL. |
| MLA | Huang, Guohua,et al."Prediction of Drug Indications Based on Chemical Interactions and Chemical Similarities".BIOMED RESEARCH INTERNATIONAL (2015). |
入库方式： OAI收割
来源：上海药物研究所
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。