Survey on Computational Approaches for Drug-Target Interaction Prediction

被引:0
作者
Zhang, Ran [2 ]
Wang, Xuezhi [1 ]
Wang, Jiajia [1 ]
Meng, Zhen [1 ]
机构
[1] Department of Big Data Technology and Application Development, Computer Network Information Center, Chinese Academy of Sciences, Beijing
[2] School of Computer Science and Technology, University of Chinese Academy of Sciences, Beijing
关键词
bioinformatics; data mining; drug discovery; drug-target interaction prediction;
D O I
10.3778/j.issn.1002-8331.2210-0108
中图分类号
学科分类号
摘要
Drug-target interaction prediction aims to discover potential drugs acting on specific proteins, and plays an important role in drug repositioning, drug side effect prediction, polypharmacology and drug resistance research. With the advancement of computer processing and the continuous updating of computing algorithms, the computational drug-target interaction prediction has shown the advantages of short time, low cost, high precision and wide range, which has received extensive attention and made remarkable progress. In order to sort out the development history and explore the future research direction, the background and significance of drug-target interaction prediction are firstly introduced in brief. Secondly, the methods are classified into four types:molecular docking-based, drug structure-based, text mining-based and chemogenomic-based methods. A comparative analysis of each method is carried out, and the data requirements and application scenarios for each type of methods are described in detail. Finally, the limitations and challenges of the existing research are discussed, and the future research directions are prospected to provide references for follow-up research. © 2023 Journal of Computer Engineering and Applications Beijing Co., Ltd.; Science Press. All rights reserved.
引用
收藏
页码:1 / 13
页数:12
相关论文
共 113 条
[1]  
DREWS J., Drug discovery:a historical perspective[J], Science, 287, 5460, pp. 1960-1964, (2000)
[2]  
MASOUDI-NEJAD A, MOUSAVIAN Z, BOZORGMEHR J H., Drug-target and disease networks:polypharmacology in the post-genomic era[J], Silico Pharmacology, 1, 1, pp. 1-4, (2013)
[3]  
MASOUDI-SOBHANZADEH Y, OMIDI Y, AMANLOU M, Et al., Drug databases and their contributions to drug repurposing[J], Genomics, 112, 2, pp. 1087-1095, (2020)
[4]  
PAUL S M, MYTELKA D S, DUNWIDDIE C T, Et al., How to improve R&D productivity:the pharmaceutical industry's grand challenge[J], Nature Reviews Drug Discovery, 9, 3, pp. 203-214, (2010)
[5]  
DICKSON M, GAGNON J P., Key factors in the rising cost of new drug discovery and development[J], Nature Reviews Drug Discovery, 3, 5, pp. 417-429, (2004)
[6]  
CHENG L, HAN X, ZHU Z, Et al., Functional alterations caused by mutations reflect evolutionary trends of SARSCoV-2[J], Briefings in Bioinformatics, 22, 2, pp. 1442-1450, (2021)
[7]  
CHONG C R, SULLIVAN D J., New uses for old drugs, Nature, 448, 7154, pp. 645-646, (2007)
[8]  
ZENG X, LIU L, LU L, Et al., Prediction of potential disease-associated microRNAs using structural perturbation method[J], Bioinformatics, 34, 14, pp. 2425-2432, (2018)
[9]  
ZHANG X, ZOU Q, RODRIGUEZ-PATON A, Et al., Metapath methods for prioritizing candidate disease miRNAs[J], IEEE/ACM Transactions on Computational Biology and Bioinformatics, 16, 1, pp. 283-291, (2017)
[10]  
SHI H, WU Y, ZHENG Z Q, Et al., A discussion of micrornas in cancers[J], Current Bioinformatics, 9, 5, pp. 453-462, (2014)