DTRE: A model for predicting drug-target interactions of endometrial cancer based on heterogeneous graph

被引:1
|
作者
Li, Meng [1 ]
Liu, Han [2 ]
Kong, Fanyu [3 ]
Lv, Pengju [4 ]
机构
[1] Harbin Med Univ, Affiliated Hosp 1, Dept Obstet & Gynecol, Harbin, Heilongjiang, Peoples R China
[2] UCL, Inst Global Hlth, London, England
[3] Hangzhou Anheng Informat Technol Co Ltd, Hangzhou 310000, Zhejiang, Peoples R China
[4] Harbin Med Univ, Sch Med Informat, Daqing Campus, Daqing 163319, Heilongjiang, Peoples R China
关键词
Endometrial cancer; Drug-target interactions; Heterogeneous graph;
D O I
10.1016/j.future.2024.07.012
中图分类号
TP301 [理论、方法];
学科分类号
081202 ;
摘要
Endometrial cancer is one of the most common gynecological malignancies affecting women worldwide, posing a serious threat to women's health. Moreover, the identification of drug-target interactions (DTIs) is typically a time-consuming and costly critical step in drug discovery. In order to identify potential DTIs to enhance targeted therapy for endometrial cancer, we propose a deep learning model named DTRE (Drug- Target Relationship Enhanced) based on a heterogeneous graph to predict DTIs, which utilizes the relationships between drugs and targets to effectively capture their interactions. In the heterogeneous graph, nodes represent drugs and targets, and edges represent their interactions, then the representations of drugs and targets are learned through graph convolutional network, graph attention network and attention mechanism. Experimental results on the dataset proposed in this paper show that the AUC and AUPR of DTRE achieve 0.870 and 0.872 respectively, significantly outperforming comparative models and indicating that DTRE can effectively predict DTIs when applied to large-scale data. Additionally, DTRE also predicts the potential DTIs for endometrial cancer, providing new insights into targeted therapy for it.
引用
收藏
页码:478 / 486
页数:9
相关论文
共 50 条
  • [21] Transformer and Graph Transformer-Based Prediction of Drug-Target Interactions
    Qian, Meiling
    Lu, Weizhong
    Zhang, Yu
    Liu, Junkai
    Wu, Hongjie
    Lu, Yaoyao
    Li, Haiou
    Fu, Qiming
    Shen, Jiyun
    Xiao, Yongbiao
    [J]. CURRENT BIOINFORMATICS, 2024, 19 (05) : 470 - 481
  • [22] Predicting Drug-Target Interactions Via Dual-Stream Graph Neural Network
    Li, Yuhui
    Liang, Wei
    Peng, Li
    Zhang, Dafang
    Yang, Cheng
    Li, Kuan-Ching
    [J]. IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS, 2024, 21 (04) : 948 - 958
  • [23] Graph neural network approaches for drug-target interactions
    Zhang, Zehong
    Chen, Lifan
    Zhong, Feisheng
    Wang, Dingyan
    Jiang, Jiaxin
    Zhang, Sulin
    Jiang, Hualiang
    Zheng, Mingyue
    Li, Xutong
    [J]. CURRENT OPINION IN STRUCTURAL BIOLOGY, 2022, 73
  • [24] PPDTS: Predicting potential drug-target interactions based on network similarity
    Wang, Wei
    Wang, Yongqing
    Zhang, Yu
    Liu, Dong
    Zhang, Hongjun
    Wang, Xianfang
    [J]. IET SYSTEMS BIOLOGY, 2022, 16 (01) : 18 - 27
  • [25] A hybrid ensemble-based technique for predicting drug-target interactions
    Sachdev, Kanica
    Gupta, Manoj Kumar
    [J]. CHEMICAL BIOLOGY & DRUG DESIGN, 2020, 96 (06) : 1447 - 1455
  • [26] KGAT: Predicting Drug-Target Interaction Based on Knowledge Graph Attention Network
    Wu, Zhenghao
    Zhang, Xiaolong
    Lin, Xiaoli
    [J]. INTELLIGENT COMPUTING THEORIES AND APPLICATION, ICIC 2022, PT II, 2022, 13394 : 438 - 450
  • [27] Drug-target interactions prediction using marginalized denoising model on heterogeneous networks
    Chunyan Tang
    Cheng Zhong
    Danyang Chen
    Jianyi Wang
    [J]. BMC Bioinformatics, 21
  • [28] Drug-target interactions prediction using marginalized denoising model on heterogeneous networks
    Tang, Chunyan
    Zhong, Cheng
    Chen, Danyang
    Wang, Jianyi
    [J]. BMC BIOINFORMATICS, 2020, 21 (01)
  • [29] Heterogeneous Graph Attention Network for Drug-Target Interaction Prediction
    Li, Mei
    Cai, Xiangrui
    Li, Linyu
    Xu, Sihan
    Ji, Hua
    [J]. PROCEEDINGS OF THE 31ST ACM INTERNATIONAL CONFERENCE ON INFORMATION AND KNOWLEDGE MANAGEMENT, CIKM 2022, 2022, : 1166 - 1176
  • [30] IMCHGAN: Inductive Matrix Completion With Heterogeneous Graph Attention Networks for Drug-Target Interactions Prediction
    Li, Jin
    Wang, Jingru
    Lv, Hao
    Zhang, Zhuoxuan
    Wang, Zaixia
    [J]. IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS, 2022, 19 (02) : 655 - 665