MCN-CPI: Multiscale Convolutional Network for Compound-Protein Interaction Prediction

被引:25
|
作者
Wang, Shuang [1 ]
Jiang, Mingjian [2 ]
Zhang, Shugang [3 ]
Wang, Xiaofeng [3 ]
Yuan, Qing [3 ]
Wei, Zhiqiang [3 ]
Li, Zhen [4 ]
机构
[1] China Univ Petr, Coll Comp Sci & Technol, Qingdao 266580, Peoples R China
[2] Qingdao Univ Technol, Sch Informat & Control Engn, Qingdao 266520, Peoples R China
[3] Ocean Univ China, Coll Comp Sci & Technol, Qingdao 266100, Peoples R China
[4] Qingdao Univ, Coll Comp Sci & Technol, Qingdao 266071, Peoples R China
关键词
compound-protein interaction; drug screening; convolutional network; deep learning;
D O I
10.3390/biom11081119
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
In the process of drug discovery, identifying the interaction between the protein and the novel compound plays an important role. With the development of technology, deep learning methods have shown excellent performance in various situations. However, the compound-protein interaction is complicated and the features extracted by most deep models are not comprehensive, which limits the performance to a certain extent. In this paper, we proposed a multiscale convolutional network that extracted the local and global features of the protein and the topological feature of the compound using different types of convolutional networks. The results showed that our model obtained the best performance compared with the existing deep learning methods.
引用
收藏
页数:15
相关论文
共 50 条
  • [41] Improved compound-protein interaction site and binding affinity prediction using self-supervised protein embeddings
    Wu, Jialin
    Liu, Zhe
    Yang, Xiaofeng
    Lin, Zhanglin
    BMC BIOINFORMATICS, 2022, 23 (01)
  • [42] Scalable prediction of compound-protein interactions using minwise hashing
    Tabei, Yasuo
    Yamanishi, Yoshihiro
    BMC SYSTEMS BIOLOGY, 2013, 7
  • [43] Compound-Protein Interaction Analysis in Condition Following Cardiac Arrest
    Azodi, Mona Zamanian
    Tavirani, Mostafa Rezaei
    Tavirani, Majid Rezaei
    GALEN MEDICAL JOURNAL, 2018, 7 (01):
  • [44] Co-guided Dual-channel Graph Neural Networks for the prediction of compound-protein interaction
    Wu, Zheyu
    Ma, Huifang
    Deng, Bin
    Li, Zhixin
    Chang, Liang
    APPLIED SOFT COMPUTING, 2024, 163
  • [45] CAT-CPI: Combining CNN and transformer to learn compound image features for predicting compound-protein interactions
    Qian, Ying
    Wu, Jian
    Zhang, Qian
    FRONTIERS IN MOLECULAR BIOSCIENCES, 2022, 9
  • [46] Picture-word order compound protein interaction: Predicting compound-protein interaction using structural images of compounds
    Qian, Ying
    Li, Xuelian
    Wu, Jian
    Zhou, Aimin
    Xu, Zhijian
    Zhang, Qian
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2022, 43 (04) : 255 - 264
  • [47] GraphCPI: Graph Neural Representation Learning for Compound-Protein Interaction
    Quan, Zhe
    Guo, Yan
    Lin, Xuan
    Wang, Zhi-Jie
    Zeng, Xiangxiang
    2019 IEEE INTERNATIONAL CONFERENCE ON BIOINFORMATICS AND BIOMEDICINE (BIBM), 2019, : 717 - 722
  • [48] A general prediction model for compound-protein interactions based on deep learning
    Ji, Wei
    She, Shengnan
    Qiao, Chunxue
    Feng, Qiuqi
    Rui, Mengjie
    Xu, Ximing
    Feng, Chunlai
    FRONTIERS IN PHARMACOLOGY, 2024, 15
  • [49] Effectively Identifying Compound-Protein Interaction Using Graph Neural Representation
    Lin, Xuan
    Quan, Zhe
    Wang, Zhi-Jie
    Guo, Yan
    Zeng, Xiangxiang
    Yu, Philip S. S.
    IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS, 2023, 20 (02) : 932 - 943
  • [50] Aroma compound-protein interaction using head-space techniques
    Jouenne, E
    Crouzet, J
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1998, 216 : U67 - U67