Artificial Intelligence in COVID-19 Drug Repurposing

Overview

Journal Lancet Digit Health

Specialties Biomedical Engineering
Medical Informatics
Public Health

Date 2020 Sep 28

PMID 32984792

Citations 189

Authors

Yadi Zhou

Fei Wang

Jian Tang

Ruth Nussinov

Feixiong Cheng

Affiliations

Soon will be listed here.

Abstract

Drug repurposing or repositioning is a technique whereby existing drugs are used to treat emerging and challenging diseases, including COVID-19. Drug repurposing has become a promising approach because of the opportunity for reduced development timelines and overall costs. In the big data era, artificial intelligence (AI) and network medicine offer cutting-edge application of information science to defining disease, medicine, therapeutics, and identifying targets with the least error. In this Review, we introduce guidelines on how to use AI for accelerating drug repurposing or repositioning, for which AI approaches are not just formidable but are also necessary. We discuss how to use AI models in precision medicine, and as an example, how AI models can accelerate COVID-19 drug repurposing. Rapidly developing, powerful, and innovative AI and network medicine technologies can expedite therapeutic development. This Review provides a strong rationale for using AI-based assistive tools for drug repurposing medications for human disease, including during the COVID-19 pandemic.

Citing Articles

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Repurposing Drugs for Infectious Diseases by Graph Convolutional Network with Sensitivity-Based Graph Reduction.

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Quantitative pulmonary pharmacokinetics of tetrandrine for SARS-CoV-2 repurposing: a physiologically based pharmacokinetic modeling approach.

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References

Dyall J, Coleman C, Hart B, Venkataraman T, Holbrook M, Kindrachuk J . Repurposing of clinically developed drugs for treatment of Middle East respiratory syndrome coronavirus infection. Antimicrob Agents Chemother. 2014; 58(8):4885-93. PMC: 4136000. DOI: 10.1128/AAC.03036-14. View

Cheng F, Kovacs I, Barabasi A . Network-based prediction of drug combinations. Nat Commun. 2019; 10(1):1197. PMC: 6416394. DOI: 10.1038/s41467-019-09186-x. View

Hoffmann M, Kleine-Weber H, Pohlmann S . A Multibasic Cleavage Site in the Spike Protein of SARS-CoV-2 Is Essential for Infection of Human Lung Cells. Mol Cell. 2020; 78(4):779-784.e5. PMC: 7194065. DOI: 10.1016/j.molcel.2020.04.022. View

Chong C, Sullivan Jr D . New uses for old drugs. Nature. 2007; 448(7154):645-6. DOI: 10.1038/448645a. View

Liu J, Cao R, Xu M, Wang X, Zhang H, Hu H . Hydroxychloroquine, a less toxic derivative of chloroquine, is effective in inhibiting SARS-CoV-2 infection in vitro. Cell Discov. 2020; 6:16. PMC: 7078228. DOI: 10.1038/s41421-020-0156-0. View

Rosenberg E, Dufort E, Udo T, Wilberschied L, Kumar J, Tesoriero J . Association of Treatment With Hydroxychloroquine or Azithromycin With In-Hospital Mortality in Patients With COVID-19 in New York State. JAMA. 2020; 323(24):2493-2502. PMC: 7215635. DOI: 10.1001/jama.2020.8630. View

Hripcsak G, Duke J, Shah N, Reich C, Huser V, Schuemie M . Observational Health Data Sciences and Informatics (OHDSI): Opportunities for Observational Researchers. Stud Health Technol Inform. 2015; 216:574-8. PMC: 4815923. View

Mello M, Wang C . Ethics and governance for digital disease surveillance. Science. 2020; 368(6494):951-954. DOI: 10.1126/science.abb9045. View

Jeon S, Ko M, Lee J, Choi I, Byun S, Park S . Identification of Antiviral Drug Candidates against SARS-CoV-2 from FDA-Approved Drugs. Antimicrob Agents Chemother. 2020; 64(7). PMC: 7318052. DOI: 10.1128/AAC.00819-20. View

10.

Ellinghaus D, Degenhardt F, Bujanda L, Buti M, Albillos A, Invernizzi P . Genomewide Association Study of Severe Covid-19 with Respiratory Failure. N Engl J Med. 2020; 383(16):1522-1534. PMC: 7315890. DOI: 10.1056/NEJMoa2020283. View

11.

Reynolds H, Adhikari S, Pulgarin C, Troxel A, Iturrate E, Johnson S . Renin-Angiotensin-Aldosterone System Inhibitors and Risk of Covid-19. N Engl J Med. 2020; 382(25):2441-2448. PMC: 7206932. DOI: 10.1056/NEJMoa2008975. View

12.

Cheng F, Desai R, Handy D, Wang R, Schneeweiss S, Barabasi A . Network-based approach to prediction and population-based validation of in silico drug repurposing. Nat Commun. 2018; 9(1):2691. PMC: 6043492. DOI: 10.1038/s41467-018-05116-5. View

13.

LeCun Y, Bengio Y, Hinton G . Deep learning. Nature. 2015; 521(7553):436-44. DOI: 10.1038/nature14539. View

14.

Fleming N . How artificial intelligence is changing drug discovery. Nature. 2018; 557(7707):S55-S57. DOI: 10.1038/d41586-018-05267-x. View

15.

Nussinov R, Jang H, Tsai C, Cheng F . Review: Precision medicine and driver mutations: Computational methods, functional assays and conformational principles for interpreting cancer drivers. PLoS Comput Biol. 2019; 15(3):e1006658. PMC: 6438456. DOI: 10.1371/journal.pcbi.1006658. View

16.

Lenselink E, Ten Dijke N, Bongers B, Papadatos G, van Vlijmen H, Kowalczyk W . Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set. J Cheminform. 2017; 9(1):45. PMC: 5555960. DOI: 10.1186/s13321-017-0232-0. View

17.

Yu M, Ma J, Fisher J, Kreisberg J, Raphael B, Ideker T . Visible Machine Learning for Biomedicine. Cell. 2018; 173(7):1562-1565. PMC: 6483071. DOI: 10.1016/j.cell.2018.05.056. View

18.

Beigel J, Tomashek K, Dodd L . Remdesivir for the Treatment of Covid-19 - Preliminary Report. Reply. N Engl J Med. 2020; 383(10):994. DOI: 10.1056/NEJMc2022236. View

19.

Richardson P, Griffin I, Tucker C, Smith D, Oechsle O, Phelan A . Baricitinib as potential treatment for 2019-nCoV acute respiratory disease. Lancet. 2020; 395(10223):e30-e31. PMC: 7137985. DOI: 10.1016/S0140-6736(20)30304-4. View

20.

Hayrinen K, Saranto K, Nykanen P . Definition, structure, content, use and impacts of electronic health records: a review of the research literature. Int J Med Inform. 2007; 77(5):291-304. DOI: 10.1016/j.ijmedinf.2007.09.001. View