Machine and deep learning approaches for cancer drug repurposing

被引:172
作者
Issa, Naiem T. [1 ]
Stathias, Vasileios [2 ]
Schurer, Stephan [2 ]
Dakshanamurthy, Sivanesan [3 ]
机构
[1] Univ Miami, Sch Med, Dr Phillip Frost Dept Dermatol & Cutaneous Surg, Miami, FL USA
[2] Univ Miami, Sch Med, Dept Mol & Cellular Pharmacol, Miami, FL 33101 USA
[3] Georgetown Univ, Med Ctr, Dept Oncol, Lombardi Comprehens Canc Ctr, Washington, DC 20007 USA
关键词
Drug repurposing; Drug discovery; Machine learning; Deep learning; Artificial intelligence; BIOASSAY ONTOLOGY BAO; REGULATORY T-CELLS; CONNECTIVITY MAP; INDOLEAMINE 2,3-DIOXYGENASE; MOLECULAR DOCKING; NEURAL-NETWORKS; DISCOVERY; INHIBITORS; TARGET; PREDICTION;
D O I
10.1016/j.semcancer.2019.12.011
中图分类号
R73 [肿瘤学];
学科分类号
100214 ;
摘要
Knowledge of the underpinnings of cancer initiation, progression and metastasis has increased exponentially in recent years. Advanced "omics" coupled with machine learning and artificial intelligence (deep learning) methods have helped elucidate targets and pathways critical to those processes that may be amenable to pharmacologic modulation. However, the current anti-cancer therapeutic armamentarium continues to lag behind. As the cost of developing a new drug remains prohibitively expensive, repurposing of existing approved and investigational drugs is sought after given known safety profiles and reduction in the cost barrier. Notably, successes in oncologic drug repurposing have been infrequent. Computational in-silico strategies have been developed to aid in modeling biological processes to find new disease-relevant targets and discovering novel drug-target and drug-phenotype associations. Machine and deep learning methods have especially enabled leaps in those successes. This review will discuss these methods as they pertain to cancer biology as well as immunomodulation for drug repurposing opportunities in oncologic diseases.
引用
收藏
页码:132 / 142
页数:11
相关论文
共 145 条
[81]  
Molenaar Remco J, 2011, ISRN Neurol, V2011, P590249, DOI 10.5402/2011/590249
[82]   Indoleamine 2,3 dioxygenase and metabolic control of immune responses [J].
Munn, David H. ;
Mellor, Andrew L. .
TRENDS IN IMMUNOLOGY, 2013, 34 (03) :137-143
[83]   GCN2 kinase in T cells mediates proliferative arrest and anergy induction in response to indoleamine 2,3-dioxygenase [J].
Munn, DH ;
Sharma, MD ;
Baban, B ;
Harding, HP ;
Zhang, YH ;
Ron, D ;
Mellor, AL .
IMMUNITY, 2005, 22 (05) :633-642
[84]  
Nosengo N, 2016, NATURE, V534, P314, DOI 10.1038/534314a
[85]   A2A adenosine receptor protects tumors from antitumor T cells [J].
Ohta, Akio ;
Gorelik, Elieser ;
Prasad, Simon J. ;
Ronchese, Franca ;
Lukashev, Dmitriy ;
Wong, Michael K. K. ;
Huang, Xiaojun ;
Caldwell, Sheila ;
Liu, Kebin ;
Smith, Patrick ;
Chen, Jiang-Fan ;
Jackson, Edwin K. ;
Apasov, Sergey ;
Abrams, Scott ;
Sitkovsky, Michail .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2006, 103 (35) :13132-13137
[86]   DeepDTA: deep drug-target binding affinity prediction [J].
Ozturk, Hakime ;
Ozgur, Arzucan ;
Ozkirimli, Elif .
BIOINFORMATICS, 2018, 34 (17) :821-829
[87]   TRPV4 inhibition attenuates stretch-induced inflammatory cellular responses and lung barrier dysfunction during mechanical ventilation [J].
Pairet, N. ;
Mang, S. ;
Fois, G. ;
Keck, M. ;
Kuehnbach, M. ;
Gindele, J. ;
Frick, M. ;
Dietl, P. ;
Lamb, D. J. .
PLOS ONE, 2018, 13 (04)
[88]   In Silico Prediction of Small Molecule-miRNA Associations Based on the HeteSim Algorithm [J].
Qu, Jia ;
Chen, Xing ;
Sun, Ya-Zhou ;
Zhao, Yan ;
Cai, Shu-Bin ;
Ming, Zhong ;
You, Zhu-Hong ;
Li, Jian-Qiang .
MOLECULAR THERAPY-NUCLEIC ACIDS, 2019, 14 :274-286
[89]   Protein-Ligand Scoring with Convolutional Neural Networks [J].
Ragoza, Matthew ;
Hochuli, Joshua ;
Idrobo, Elisa ;
Sunseri, Jocelyn ;
Koes, David Ryan .
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2017, 57 (04) :942-957
[90]   DEEPScreen: high performance drug-target interaction prediction with convolutional neural networks using 2-D structural compound representations [J].
Rifaioglu, Ahmet Sureyya ;
Nalbat, Esra ;
Atalay, Volkan ;
Martin, Maria Jesus ;
Cetin-Atalay, Rengul ;
Dogan, Tunca .
CHEMICAL SCIENCE, 2020, 11 (09) :2531-2557