Abstract
Drug repositioning can find new uses for existing drugs and accelerate the processing of new drugs research and developments. It is noteworthy that the number of successful drug repositioning stories is increasing rapidly. Various computational methods have been presented to predict novel drug-disease associations for drug repositioning based on similarity measures among drugs and diseases or heterogeneous networks. However, there are some known associations between drugs and diseases that previous studies not utilized. In this work, we proposed a GRU model to predict potential drug-disease interactions by using comprehensive similarity. 10-fold cross-validation and common evaluation indicators are used to evaluate the performance of our model. Our model outperformed existing methods. The experimental results proved our model is a useful tool for drug repositioning and biochemical medicine research.
The authors wish it to be known that, in their opinion, the first two authors should be regarded as joint First Authors.
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References
Ashburn, T.T., Thor, K.B.: Drug repositioning: identifying and developing new uses for existing drugs. Nat. Rev. Drug Discovery 3, 673 (2004)
Booth, B., Zemmel, R.: Prospects for productivity. Nat. Rev. Drug Discovery 3, 451 (2004)
Dudley, J.T., Deshpande, T., Butte, A.J.: Exploiting drug–disease relationships for computational drug repositioning. Brief. Bioinform. 12(4), 303–311 (2011)
Nagaraj, A.B., et al.: Using a novel computational drug-repositioning approach (DrugPredict) to rapidly identify potent drug candidates for cancer treatment. Oncogene 37(3), 403–414 (2018)
Luo, H., et al.: Drug repositioning based on comprehensive similarity measures and bi-random walk algorithm. Bioinformatics 32(17), 2664 (2016)
Luo, H., Li, M., Wang, S., Liu, Q., Li, Y., Wang, J.: Computational drug repositioning using low-rank matrix approximation and randomized algorithms. Bioinformatics 34(11), 1904–1912 (2018)
Tartaglia, L.A.: Complementary new approaches enable repositioning of failed drug candidates. Expert Opin. Investig. Drugs 15(11), 1295–1298 (2006)
Chen, X., et al.: NRDTD: a database for clinically or experimentally supported non-coding RNAs and drug targets associations. Database 2017 (2017)
Kanehisa, M., Goto, S., Furumichi, M., Tanabe, M., Hirakawa, M.: KEGG for representation and analysis of molecular networks involving diseases and drugs. Nucleic Acids Res. 38(suppl_1), D355–D360 (2009)
Hamosh, A., Scott, A.F., Amberger, J., Bocchini, C., Valle, D., Mckusick, V.A.: Online mendelian inheritance in man (OMIM), a knowledgebase of human genes and genetic disorders. Nucleic Acids Res. 33(1), 514–517 (2005)
Lamb, J., et al.: The connectivity map: using gene-expression signatures to connect small molecules, genes, and disease. Science 313(5795), 1929–1935 (2006)
Knox, C., et al.: DrugBank 3.0: a comprehensive resource for ‘Omics’ research on drugs. Nucleic Acids Res. 39, 1035 (2011). (Database issue)
Kuhn, M., et al.: STITCH 4: integration of protein-chemical interactions with user data. Nucleic Acids Res. 42, 401–407 (2014). (Database issue)
Gaulton, A., et al.: ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res. 40, 1100–1107 (2012)
Meng, F.-R., You, Z.-H., Chen, X., Zhou, Y., An, J.-Y.: Prediction of drug–target interaction networks from the integration of protein sequences and drug chemical structures. Molecules 22(7), 1119 (2017)
Luo, H, et al.: DRAR-CPI a server for identifying drug repositioning potential and adverse drug reactions via the chemical–protein interactome. Nucleic Acids Res. 39(suppl_2), W492–W498 (2011)
Chiang, A.P., Butte, A.J.: Systematic evaluation of drug–disease relationships to identify leads for novel drug uses. Clin. Pharmacol. Ther. 86(5), 507–510 (2009)
Gottlieb, A., Stein, G.Y., Ruppin, E., Sharan, R.: PREDICT: a method for inferring novel drug indications with application to personalized medicine. Mol. Syst. Biol. 7(1), 496 (2011)
Francesco, N., et al.: Drug repositioning: a machine-learning approach through data integration. J. Cheminform. 5(1), 30 (2013)
Iorio, F., et al.: Discovery of drug mode of action and drug repositioning from transcriptional responses. Proc. Natl. Acad. Sci. 107(33), 14621–14626 (2010)
Cheng, F., et al.: Prediction of drug-target interactions and drug repositioning via network-based inference. PLoS Comput. Biol. 8(5), e1002503 (2012)
Wu, C., Gudivada, R.C., Aronow, B.J., Jegga, A.G.: Computational drug repositioning through heterogeneous network clustering. BMC Syst. Biol. 7(5), 1–9 (2013)
Wang, W., Yang, S., Zhang, X., Li, J.: Drug repositioning by integrating target information through a heterogeneous network model. Bioinformatics 30(20), 2923–2930 (2014)
Martínez, V., Navarro, C., Cano, C., Fajardo, W., Blanco, A.: DrugNet: network-based drug–disease prioritization by integrating heterogeneous data. Artif. Intell. Med. 63(1), 41–49 (2015)
Yi, H.-C., You, Z.-H., Huang, D.-S., Li, X., Jiang, T.-H., Li, L.-P.: A deep learning framework for robust and accurate prediction of ncRNA-protein interactions using evolutionary information. Mol. Ther. - Nucleic Acids 11, 337–344 (2018)
You, Z.-H., Zhan, Z.-H., Li, L.-P., Zhou, Y., Yi, H.-C.: Accurate prediction of ncRNA-protein interactions from the integration of sequence and evolutionary information. Front. Genet. 9, 458 (2018)
Wishart, D.S., et al.: DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 36, 901–906 (2008). (Database issue)
Steinbeck, C., Han, Y., Kuhn, S., Horlacher, O., Luttmann, E., Willighagen, E.: The Chemistry Development Kit (CDK): an open-source java library for chemo-and bioinformatics. J. Chem. Inf. Comput. Sci. 43(2), 493–500 (2003)
Weininger, D.: SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules. J. Chem. Inf. Comput. Sci. 28(1), 31–36 (1988)
Vanunu, O., Magger, O., Ruppin, E., Shlomi, T., Sharan, R.: Associating genes and protein complexes with disease via network propagation. PLoS Comput. Biol. 6(1), e1000641 (2010)
Nepusz, T., Yu, H., Paccanaro, A.: Detecting overlapping protein complexes in protein-protein interaction networks. Nat. Methods 9(5), 471 (2012)
Yu, L., Huang, J., Ma, Z., Zhang, J., Zou, Y., Gao, L.: Inferring drug-disease associations based on known protein complexes. BMC Med. Genomics 8(2), S2 (2015)
van Laarhoven, T., Nabuurs, S.B., Marchiori, E.: Gaussian interaction profile kernels for predicting drug–target interaction. Bioinformatics 27(21), 3036–3043 (2011)
Chen, X., et al.: A novel computational model based on super-disease and miRNA for potential miRNA–disease association prediction. Mol. BioSyst. 13(6), 1202–1212 (2017)
Hochreiter, S., Schmidhuber, J.: Long short-term memory. Neural Comput. 9(8), 1735–1780 (1997)
Gers, F.A., Schmidhuber, J., Cummins, F.: Learning to forget: continual prediction with LSTM (1999)
Shen, Z., Bao, W., Huang, D.-S.: Recurrent neural network for predicting transcription factor binding sites. Scientific Rep. 8(1), 15270 (2018)
Cho, K., Van Merriënboer, B., Bahdanau, D., Bengio, Y.: On the properties of neural machine translation: Encoder-decoder approaches. arXiv preprint. arXiv:14091259 (2014)
Chung J, Gulcehre C, Cho K, Bengio Y: Empirical evaluation of gated recurrent neural networks on sequence modeling. arXiv preprint. arXiv:14123555 (2014)
Yi, H.-C., et al.: ACP-DL: a deep learning long short-term memory model to predict anticancer peptides using high efficiency feature representation. Mol. Ther.- Nucleic Acids (2019)
Wang, L., et al.: MTRDA: using logistic model tree to predict miRNA-disease associations by fusing multi-source information of sequences and similarities. PLoS Comput. Biol. 15(3), e1006865 (2019)
Chen, Z.-H., You, Z.-H., Li, L.-P., Wang, Y.-B., Wong, L., Yi, H.-C.: Prediction of self-interacting proteins from protein sequence information based on random projection model and fast fourier transform. Int. J. Mol. Sci. 20(4), 930 (2019)
Chen, Z.-H., Li, L.-P., He, Z., Zhou, J.-R., Li, Y., Wong, L.: An improved deep forest model for predicting self-interacting proteins from protein sequence using wavelet transformation. Front. Genet. 10 (2019)
Zhu, H.-J., You, Z.-H., Zhu, Z.-X., Shi, W.-L., Chen, X., Cheng, L.: DroidDet: effective and robust detection of android malware using static analysis along with rotation forest model. Neurocomputing 272, 638–646 (2018)
You, Z.-H., Huang, W., Zhang, S., Huang, Y.-A., Yu, C.-Q., Li, L.-P.: An efficient ensemble learning approach for predicting protein-protein interactions by integrating protein primary sequence and evolutionary information. IEEE/ACM Trans. Comput. Biol. Bioinform. 16(3), 809–817 (2018)
Wang, Y.-B., You, Z.-H., Li, X., Jiang, T.-H., Cheng, L., Chen, Z.-H.: Prediction of protein self-interactions using stacked long short-term memory from protein sequences information. BMC Syst. Biol. 12(8), 129 (2018)
Wang, Y., et al.: Predicting protein interactions using a deep learning method-stacked sparse autoencoder combined with a probabilistic classification vector machine. Complexity 2018 (2018)
Wang, L., et al.: Using two-dimensional principal component analysis and rotation forest for prediction of protein-protein interactions. Scientific Rep. 8(1), 12874 (2018)
Wang, L., et al.: An improved efficient rotation forest algorithm to predict the interactions among proteins. Soft. Comput. 22(10), 3373–3381 (2018)
Wang, L., You, Z.-H., Huang, D.-S., Zhou, F.: Combining high speed ELM learning with a deep convolutional neural network feature encoding for predicting protein-RNA Interactions. IEEE/ACM Trans. Comput. Biol. Bioinform. (2018)
Wang, L., et al.: A computational-based method for predicting drug–target interactions by using stacked autoencoder deep neural network. J. Comput. Biol. 25(3), 361–373 (2018)
Song, X.-Y., Chen, Z.-H., Sun, X.-Y., You, Z.-H., Li, L.-P., Zhao, Y.: An ensemble classifier with random projection for predicting protein-protein interactions using sequence and evolutionary information. Appl. Sci. 8(1), 89 (2018)
Qu, J., et al.: In silico prediction of small molecule-miRNA associations based on HeteSim algorithm. Mol. Ther.-Nucleic Acids (2018)
Qu, J., Chen, X., Sun, Y.Z., Li, J.Q., Ming, Z.: Inferring potential small molecule–miRNA association based on triple layer heterogeneous network. J. Cheminform. 10(1), 30 (2018)
Luo, X., Zhou, M., Li, S., Xia, Y., You, Z.-H., Zhu, Q., Leung, H.: Incorporation of efficient second-order solvers into latent factor models for accurate prediction of missing QoS data. IEEE Trans. Cybern. 48(4), 1216–1228 (2018)
Li, L.-P., Wang, Y.-B., You, Z.-H., Li, Y., An, J.-Y.: PCLPred: a bioinformatics method for predicting protein-protein interactions by combining relevance vector machine model with low-rank matrix approximation. Int. J. Mol. Sci. 19(4), 1029 (2018)
Huang, Y.-A., You, Z.-H., Chen, X.: A systematic prediction of drug-target interactions using molecular fingerprints and protein sequences. Curr. Protein Pept. Sci. 19(5), 468–478 (2018)
Chen, X., Zhang, D.-H., You, Z.-H.: A heterogeneous label propagation approach to explore the potential associations between miRNA and disease. J. Transl. Med. 16(1), 348 (2018)
Chen, X., Xie, D., Wang, L., Zhao, Q., You, Z.-H., Liu, H.: BNPMDA: bipartite network projection for miRNA–disease association prediction. Bioinformatics 1, 9 (2018)
Chen, X., Wang, C.-C., Yin, J., You, Z.-H.: Novel human miRNA-disease association inference based on random forest. Mol. Ther.-Nucleic Acids 13, 568–579 (2018)
Chen, X., Gong, Y., Zhang, D.H., You, Z.H., Li, Z.W.: DRMDA: deep representations-based miRNA–disease association prediction. J. Cell Mol. Med. 22(1), 472–485 (2018)
Zhu, L., Deng, S.-P., You, Z.-H., Huang, D.-S.: Identifying spurious interactions in the protein-protein interaction networks using local similarity preserving embedding. IEEE/ACM Trans. Comput. Biol. Bioinform. 14(2), 345–352 (2017)
Zhu, H.-J., Jiang, T.-H., Ma, B., You, Z.-H., Shi, W.-L., Cheng, L.: HEMD: a highly efficient random forest-based malware detection framework for Android. Neural Comput. Appl. 30(11), 1–9 (2017)
Zhang, S., Zhu, Y., You, Z., Wu, X.: Fusion of superpixel, expectation maximization and PHOG for recognizing cucumber diseases. Comput. Electron. Agric. 140, 338–347 (2017)
Zhang, S., Zhang, C., Zhu, Y., You, Z.: Discriminant WSRC for large-scale plant species recognition. Computational intelligence and neuroscience, 2017, (2017)
Zhang, S., You, Z., Wu, X.: Plant disease leaf image segmentation based on superpixel clustering and EM algorithm. Neural Comput. Appl. 31, 1225–1232 (2019)
Zhang, S., Wu, X., You, Z., Zhang, L.: Leaf image based cucumber disease recognition using sparse representation classification. Comput. Electron. Agric. 134, 135–141 (2017)
Zhang, S., Wu, X., You, Z.: Jaccard distance based weighted sparse representation for coarse-to-fine plant species recognition. PLoS ONE 12(6), e0178317 (2017)
You, Z.-H., Zhou, M., Luo, X., Li, S.: Highly efficient framework for predicting interactions between proteins. IEEE Trans. Cybern. 47(3), 731–743 (2017)
You, Z.-H., et al.: PRMDA: personalized recommendation-based MiRNA-disease association prediction. Oncotarget 8(49), 85568 (2017)
You, Z.-H., et al.: PBMDA: a novel and effective path-based computational model for miRNA-disease association prediction. PLoS Comput. Biol. 13(3), e1005455 (2017)
You, Z.H., Li, X., Chan, K.C.: An improved sequence-based prediction protocol for protein-protein interactions using amino acids substitution matrix and rotation forest ensemble classifiers. Neurocomputing 228, 277–282 (2017)
Wen, Y.-T., Lei, H.-J., You, Z.-H., Lei, B.-Y., Chen, X., Li, L.-P.: Prediction of protein-protein interactions by label propagation with protein evolutionary and chemical information derived from heterogeneous network. J. Theor. Biol. 430, 9–20 (2017)
Wang, Y.-B., You, Z.-H., Li, L.-P., Huang, Y.-A., Yi, H.-C.: Detection of interactions between proteins by using legendre moments descriptor to extract discriminatory information embedded in pssm. Molecules 22(8), 1366 (2017)
Wang, Y.B., et al.: Predicting protein-protein interactions from protein sequences by a stacked sparse autoencoder deep neural network. Mol. BioSyst. 13(7), 1336–1344 (2017)
Wang, Y., You, Z., Li, X., Chen, X., Jiang, T., Zhang, J.: PCVMZM: using the probabilistic classification vector machines model combined with a zernike moments descriptor to predict protein-protein interactions from protein sequences. Int. J. Mol. Sci. 18(5), 1029 (2017)
Wang, L., et al.: Advancing the prediction accuracy of protein-protein interactions by utilizing evolutionary information from position-specific scoring matrix and ensemble classifier. J. Theor. Biol. 418, 105–110 (2017)
Wang, L., et al.: Computational methods for the prediction of drug-target interactions from drug fingerprints and protein sequences by stacked auto-encoder deep neural network. In: Cai, Z., Daescu, O., Li, M. (eds.) ISBRA 2017. LNCS, vol. 10330, pp. 46–58. Springer, Cham (2017). https://doi.org/10.1007/978-3-319-59575-7_5
Li, S., Zhou, M., Luo, X., You, Z.-H.: Distributed winner-take-all in dynamic networks. IEEE Trans. Automat. Contr. 62(2), 577–589 (2017)
Li, J.-Q., You, Z.-H., Li, X., Ming, Z., Chen, X.: PSPEL: in silico prediction of self-interacting proteins from amino acids sequences using ensemble learning. IEEE/ACM Trans. Comput. Biol. Bioinform. 14(5), 1165–1172 (2017)
Chen, X., Xie, D., Zhao, Q., You, Z.-H.: MicroRNAs and complex diseases: from experimental results to computational models. Brief. Bioinform. 20(2), 515–539 (2017)
Luo, X., Zhou, M., Li, S., You, Z., Xia, Y., Zhu, Q.: A nonnegative latent factor model for large-scale sparse matrices in recommender systems via alternating direction method. IEEE Trans. Neural Netw. Learn. Syst. 27(3), 579–592 (2016)
Luo, X., et al.: An incremental-and-static-combined scheme for matrix-factorization-based collaborative filtering. IEEE Trans. Autom. Sci. Eng. 13(1), 333–343 (2016)
Li, S., You, Z.H., Guo, H., Luo, X., Zhao, Z.Q.: Inverse-free extreme learning machine with optimal information updating. IEEE Trans. Cybern. 46(5), 1229 (2016)
Ji, Z., Wang, B., Deng, S., You, Z.: Predicting dynamic deformation of retaining structure by LSSVR-based time series method. Neurocomputing 137, 165–172 (2014)
Acknowledgments
This work is supported by the National Science Foundation of China, under Grants 61572506, in part by the NSFC Excellent Young Scholars Program, under Grants 61722212, in part by the Pioneer Hundred Talents Program of Chinese Academy of Sciences.
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Hai-Cheng Yi, Zhu-Hong You conceived the algorithm, carried out analyses, prepared the datasets, carried out experiments, and wrote the manuscript; Li-Ping Li, Yan-Bin Wang, Lun Hu and Leon Wong designed, performed and analyzed experiments and wrote the manuscript; All authors read and approved the final manuscript.
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Wang, T. et al. (2019). A Gated Recurrent Unit Model for Drug Repositioning by Combining Comprehensive Similarity Measures and Gaussian Interaction Profile Kernel. In: Huang, DS., Jo, KH., Huang, ZK. (eds) Intelligent Computing Theories and Application. ICIC 2019. Lecture Notes in Computer Science(), vol 11644. Springer, Cham. https://doi.org/10.1007/978-3-030-26969-2_33
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