Prediction of drug-target interactions from multi-molecular network based on LINE network representation method
Ji, BY (Ji, Bo-Ya)[ 1,2 ]; You, ZH (You, Zhu-Hong)[ 1,2 ]; Jiang, HJ (Jiang, Han-Jing)[ 1,2 ]; Guo, ZH (Guo, Zhen-Hao)[ 1,2 ]; Zheng, K (Zheng, Kai)[ 3 ]
刊名JOURNAL OF TRANSLATIONAL MEDICINE
2020
卷号18期号:1页码:1-11
关键词Drug-target interactions Heterogeneous information network LINE Random forest
ISSN号1479-5876
DOI10.1186/s12967-020-02490-x
英文摘要

Background The prediction of potential drug-target interactions (DTIs) not only provides a better comprehension of biological processes but also is critical for identifying new drugs. However, due to the disadvantages of expensive and high time-consuming traditional experiments, only a small section of interactions between drugs and targets in the database were verified experimentally. Therefore, it is meaningful and important to develop new computational methods with good performance for DTIs prediction. At present, many existing computational methods only utilize the single type of interactions between drugs and proteins without paying attention to the associations and influences with other types of molecules. Methods In this work, we developed a novel network embedding-based heterogeneous information integration model to predict potential drug-target interactions. Firstly, a heterogeneous multi-molecuar information network is built by combining the known associations among protein, drug, lncRNA, disease, and miRNA. Secondly, the Large-scale Information Network Embedding (LINE) model is used to learn behavior information (associations with other nodes) of drugs and proteins in the network. Hence, the known drug-protein interaction pairs can be represented as a combination of attribute information (e.g. protein sequences information and drug molecular fingerprints) and behavior information of themselves. Thirdly, the Random Forest classifier is used for training and prediction. Results In the results, under the five-fold cross validation, our method obtained 85.83% prediction accuracy with 80.47% sensitivity at the AUC of 92.33%. Moreover, in the case studies of three common drugs, the top 10 candidate targets have 8 (Caffeine), 7 (Clozapine) and 6 (Pioglitazone) are respectively verified to be associated with corresponding drugs. Conclusions In short, these results indicate that our method can be a powerful tool for predicting potential drug-target interactions and finding unknown targets for certain drugs or unknown drugs for certain targets.

WOS记录号WOS:000570948200002
内容类型期刊论文
源URL[http://ir.xjipc.cas.cn/handle/365002/7425]  
专题新疆理化技术研究所_多语种信息技术研究室
通讯作者You, ZH (You, Zhu-Hong)[ 1,2 ]
作者单位1.Central South Univ, Sch Comp Sci & Engn, Changsha 410083, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
3.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China
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Ji, BY ,You, ZH ,Jiang, HJ ,et al. Prediction of drug-target interactions from multi-molecular network based on LINE network representation method[J]. JOURNAL OF TRANSLATIONAL MEDICINE,2020,18(1):1-11.
APA Ji, BY ,You, ZH ,Jiang, HJ ,Guo, ZH ,&Zheng, K .(2020).Prediction of drug-target interactions from multi-molecular network based on LINE network representation method.JOURNAL OF TRANSLATIONAL MEDICINE,18(1),1-11.
MLA Ji, BY ,et al."Prediction of drug-target interactions from multi-molecular network based on LINE network representation method".JOURNAL OF TRANSLATIONAL MEDICINE 18.1(2020):1-11.
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