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
[1]   Evolving BioAssay Ontology (BAO): modularization, integration and applications [J].
Abeyruwan, Saminda ;
Vempati, Uma D. ;
Kuecuek-McGinty, Hande ;
Visser, Ubbo ;
Koleti, Amar ;
Mir, Ahsan ;
Sakurai, Kunie ;
Chung, Caty ;
Bittker, Joshua A. ;
Clemons, Paul A. ;
Brudz, Steve ;
Siripala, Anosha ;
Morales, Arturo J. ;
Romacker, Martin ;
Twomey, David ;
Bureeva, Svetlana ;
Lemmon, Vance ;
Schuerer, Stephan C. .
JOURNAL OF BIOMEDICAL SEMANTICS, 2014, 5
[2]   Old-School Chemotherapy in Immunotherapeutic Combination in Cancer, A Low-cost Drug Repurposed [J].
Abu Eid, Rasha ;
Razavi, Ghazaleh Shoja E. ;
Mkrtichyan, Mikayel ;
Janik, John ;
Khleif, Samir N. .
CANCER IMMUNOLOGY RESEARCH, 2016, 4 (05) :377-382
[3]   Rational Polypharmacology: Systematically Identifying and Engaging Multiple Drug Targets To Promote Axon Growth [J].
Al-Ali, Hassan ;
Lee, Do-Hun ;
Danzi, Matt C. ;
Nassif, Houssam ;
Gautam, Prson ;
Wennerberg, Krister ;
Zuercher, Bill ;
Drewry, David H. ;
Lee, Jae K. ;
Lemmon, Vance P. ;
Bixby, John L. .
ACS CHEMICAL BIOLOGY, 2015, 10 (08) :1939-1951
[4]   3D-QSAR studies on Maslinic acid analogs for Anticancer activity against Breast Cancer cell line MCF-7 [J].
Alam, Sarfaraz ;
Khan, Feroz .
SCIENTIFIC REPORTS, 2017, 7
[5]   High-dimensional QSAR prediction of anticancer potency of imidazo[4,5-b]pyridine derivatives using adjusted adaptive LASSO [J].
Algamal, Zakariya Yahya ;
Lee, Muhammad Hisyam ;
Al-Fakih, Abdo M. ;
Aziz, Madzlan .
JOURNAL OF CHEMOMETRICS, 2015, 29 (10) :547-556
[6]   Deep Learning Applications for Predicting Pharmacological Properties of Drugs and Drug Repurposing Using Transcriptomic Data [J].
Aliper, Alexander ;
Plis, Sergey ;
Artemov, Artem ;
Ulloa, Alvaro ;
Mamoshina, Polina ;
Zhavoronkov, Alex .
MOLECULAR PHARMACEUTICS, 2016, 13 (07) :2524-2530
[7]   Immunosuppressive activities of adenosine in cancer [J].
Allard, Bertrand ;
Beavis, Paul A. ;
Darcy, Phillip K. ;
Stagg, John .
CURRENT OPINION IN PHARMACOLOGY, 2016, 29 :7-16
[8]   DOCK 6: Impact of New Features and Current Docking Performance [J].
Allen, William J. ;
Balius, Trent E. ;
Mukherjee, Sudipto ;
Brozell, Scott R. ;
Moustakas, Demetri T. ;
Lang, P. Therese ;
Case, David A. ;
Kuntz, Irwin D. ;
Rizzo, Robert C. .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2015, 36 (15) :1132-1156
[9]   Deep learning for computational biology [J].
Angermueller, Christof ;
Parnamaa, Tanel ;
Parts, Leopold ;
Stegle, Oliver .
MOLECULAR SYSTEMS BIOLOGY, 2016, 12 (07)
[10]  
Armitage Emily Grace, 2017, Adv Exp Med Biol, V965, P209, DOI 10.1007/978-3-319-47656-8_9