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Artificial intelligence in COVID-19 drug repurposing
Open accessAbstract
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.
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“In some cases, these AI-powered approaches have been able to identify promising drug candidates in a fraction of the time that it would take when using traditional methods [26,27,28,29,30,31].”
From The role of AI in drug discovery: challenges, opportunities, and strategies (2023) · cites this paper as [28]
In the citing paper
“ML algorithms have been used to analyze large datasets of potential compounds and identify those with the most potential for treating the virus.”
From The role of AI in drug discovery: challenges, opportunities, and strategies (2023) · cites this paper as [28]
In the citing paper
“The study is a strong proof for the use of AI-assisted tools for drugs and repayment for human diseases, including COVID-19 in times of fatal disease [11].”
From Influential Usage of Big Data and Artificial Intelligence in Healthcare (2021) · cites this paper as [11]
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InfluentialArtificial Intelligence in Epidemic Modeling and Pandemic Preparedness: A Comprehensive Review
Sharma, A., Kumar, A., Dhanka, S., Maini, S., Rautela, K., Kant, S., Kaur, A., & Palta, A. (2026) · Archives of Computational Methods in Engineering · doi:10.1007/s11831-026-10525-7 · Cited by 12
“The high accuracy of AI models in some cases is also a disadvantage since the AI models are not easily interpretable and this creates difficulty in placing trust in AI-generated recommendations [14].”
Sivangi, K. B., Amilpur, S., & Dasari, C. M. (2023) · Computational Biology and Chemistry · doi:10.1016/j.compbiolchem.2023.107927 · Cited by 8
Pawar, V. A., Tyagi, A., Verma, C., Sharma, K. P., Ansari, S., Mani, I., Srivastva, S. K., Shukla, P. K., Kumar, A., & Kumar, V. (2023) · PubMed Central · Cited by 8
The Impact of AI on Clinical Trial Management
Mohammed, S. (2024) · IJARCCE · doi:10.17148/ijarcce.2024.13610 · Cited by 12
Prediction of COVID-19 Using Recurrent Neural Network Model
Alamsyah, A., Prasetiyo, B., Hakim, M. F. A., & Pradana, F. D. (2021) · Scientific Journal of Informatics · doi:10.15294/sji.v8i1.30070 · Cited by 11
“Recurrent cells are formed in sequence with past information to learn new information [13].”
BackgroundSynthetic lethality-based prediction of anti-SARS-CoV-2 targets
Pal, L. R., Cheng, K., Nair, N. U., Martin‐Sancho, L., Sinha, S., Pu, Y., Riva, L., Yin, X., Schischlik, F., Lee, J. S., et al. (2022) · iScience · doi:10.1016/j.isci.2022.104311 · Cited by 8
“…repurposing as well as genetic screening of varied scales, for example (Daniloski et al., 2021; Riva et al., 2020; Wei et al., 2021), supplemented by other studies providing computational target predictions, for example (Cheng et al., 2021a, 2021b; Tilocca et al., 2020; Zhou et al., 2020a, 2020b).”
Algorithmic Bias and Its Implications: How to Maintain Ethics through AI Governance
Isley, R. (2022) · N Y U American Public Policy Review · doi:10.21428/4b58ebd1.0e834dbb · Cited by 9
COVID‐19 Metabolomic‐Guided Amino Acid Therapy Protects from Inflammation and Disease Sequelae
Ming, S., Qu, S., Wu, Y., Wei, J., Zhang, G., Jiang, G., & Huang, X. (2023) · Advanced Biology · doi:10.1002/adbi.202200265 · Cited by 8
Machine Learning Methods in Antiviral Drug Discovery
Tarasova, O. A., Rudik, A. V., Ivanov, S. M., Lagunin, A. A., Poroikov, V., & Filimonov, D. A. (2021) · Topics in medicinal chemistry · doi:10.1007/7355_2021_121 · Cited by 8
Anti-infective properties of proton pump inhibitors: perspectives
da Rosa, T. F., Foletto, V. S., Serafin, M. B., Bottega, A., & Hörner, R. (2021) · International Microbiology · doi:10.1007/s10123-021-00203-y · Cited by 8
Translating evidence into practice during the COVID-19 pandemic: pitfalls and mileages
Mangoni, A. A., & Erre, G. L. (2021) · Therapeutic Advances in Drug Safety · doi:10.1177/2042098621998876 · Cited by 8
Olia, J. B. H., Raman, A., Hsu, C., Alkhayyat, A., & Nourazarian, A. (2025) · Computers in Biology and Medicine · doi:10.1016/j.compbiomed.2025.109984 · Cited by 9
Madzík, P., Falát, L., Jayaraman, R., Sony, M., Antony, J., Zimon, D., & Skýpalová, R. (2025) · Technovation · doi:10.1016/j.technovation.2025.103404 · Cited by 7
Applications of AI/ML in accelerating the development of pulmonary drug delivery system
Jiang, J., Zhou, Z., Peng, T., Huang, Z., Pan, X., & Wu, C. (2025) · Acta Pharmaceutica Sinica B · doi:10.1016/j.apsb.2025.11.028 · Cited by 7
“Remdesivir, originally developed against the Ebola virus, was rapidly repurposed for coronavirus disease 2019 (COVID-19) with the utilization of AI 153 .”
Housawi, A. A., Alsaywid, B. S., Lytras, M. D., Apostolaki, A., Tolah, A. W., Abuzenada, M., & Almehda, M. H. (2021) · Elsevier eBooks · doi:10.1016/b978-0-12-822060-3.00003-6 · Cited by 7
van Eijk, R. P. A., van den Berg, L. H., Roes, K. C. B., Tian, L., Lai, T. L., Nelson, L. M., Li, C., Scowcroft, A., Garcia‐Segovia, J., & Lü, Y. (2023) · Clinical Pharmacology & Therapeutics · doi:10.1002/cpt.2994 · Cited by 7
The Role of the Metaverse in Transforming Healthcare
Ramamurthy, S., Yammahi, S. A., & Rahim, A. A. (2023) · Research Journal of Pharmacy and Technology · doi:10.52711/0974-360x.2023.00891 · Cited by 7
Cobre, A. D. F., Alves, A. C., Gotine, A. R. M., Domingues, K. Z. A., Lazo, R. E. L., Ferreira, L. M., Tonin, F. S., & Pontarolo, R. (2024) · Internal and Emergency Medicine · doi:10.1007/s11739-024-03547-1 · Cited by 7
Hershan, A. A. (2024) · Saudi Journal of Biological Sciences · doi:10.1016/j.sjbs.2024.104023 · Cited by 7
“Nevertheless, initially most of the drug repurposing studies were reliant on computational methods and did not involve in vitro/in vivo experimental validations or in-depth analysis of useful translational effects (Zhou et al., 2020).”
BackgroundInfluentialPandey, V., Misra, N., Greeshma, R., Astha, A., Jeyavel, S., Govindappa, L., Rajkumar, E., & Prabhu, G. (2021) · Frontiers in Psychology · doi:10.3389/fpsyg.2021.637395 · Cited by 7
“AI and other technological advancements were incorporated for diagnostic purposes, for predicting patient’s health recovery and mortality rates, drug repurposing, and for other medical and social utilities (Kumar et al., 2020a; Vaishya et al., 2020; Zhou et al., 2020).”
BackgroundA Survey of Deep Learning Applications for COVID-19 Detection Techniques Based on Medical Images
Saeed, R. S., & Oleiwi, B. K. (2022) · Ingénierie des systèmes d information · doi:10.18280/isi.270305 · Cited by 11
An overview of current strategies and future prospects in drug repurposing in tuberculosis
Singh, D., Singh, A., & Chawla, P. A. (2023) · Exploration of Medicine · doi:10.37349/emed.2023.00125 · Cited by 7
RetractedBibliometric analysis of the use of artificial intelligence in COVID‐19 based on scientific studies
Karbasi, Z., Hajesmaeel‐Gohari, S., & Sabahi, A. (2023) · Health Science Reports · doi:10.1002/hsr2.1244 · Cited by 10
Fang, C., Yan, W., Chen, Y., Dou, Z., Liu, T., Luo, F., Chen, W., Li, X., Chen, Y., Wu, W., et al. (2023) · Journal of Medical Virology · doi:10.1002/jmv.29036 · Cited by 8
COVID-19 and Artificial Intelligence: the pandemic pacifier
Banerjee, I., Robinson, J., Kashyap, A., Mohabeer, P., & Sathian, B. (2020) · Nepal Journal of Epidemiology · doi:10.3126/nje.v10i4.33334 · Cited by 7
Wang, T., Chen, Z., Shang, Q., Ma, C., Chen, X., & Xiao, E. (2021) · Diagnostics · doi:10.3390/diagnostics11101924 · Cited by 8
Artificial Intelligence in Translational Medicine
Brogi, S., & Calderone, V. (2021) · International Journal of Translational Medicine · doi:10.3390/ijtm1030016 · Cited by 8
Precision, Prediction and Progress: A New Era in Pharmacology
Singh, J. P., Gaur, V., & Dubey, P. (2025) · doi:10.38124/ijisrt/25apr1322 · Cited by 6
Gamal, H., Shoeib, E. M., Hajjaj, A., Abdullah, H. E. A., Elramy, E., Ellah, D. A. A., El-Sayed, S. M., & Khder, M. F. (2025) · RSC Pharmaceutics · doi:10.1039/d5pm00158g · Cited by 6
Dual-route embedding-aware graph neural networks for drug repositioning
Zhao, Y., Chen, Y., Du, J., Wen, J., Sun, Q., Wang, R., & Chen, C. (2025) · Briefings in Bioinformatics · doi:10.1093/bib/bbaf555 · Cited by 6
Metadata
- Authors
- Zhou, Y., Wang, F., Tang, J., Nussinov, R., & Cheng, F.
- Affiliations
- Cleveland Clinic (US)
- Cornell University (US)
- HEC Montréal (CA)
- Tel Aviv University (IL)
- Corresponding author
- Cheng, Feixiong
- Venue
- The Lancet Digital Health
- Publisher
- Elsevier BV
- Published
- 2020-12
- Volume
- 2
- Issue
- 12
- Pages
- e667-e676
- ISSN
- 2589-7500 (ISSN-L)
- PMC
- PMC7500917
- OpenAlex
- W3087156149
- Cited by
- 636
- References
- 89
- Citations by year
- 2026: 50 · 2025: 74 · 2024: 73 · 2023: 131 · 2022: 117 · 2021: 173 · 2020: 18
- FWCI
- 9.64
- Type
- journal article
- Language
- en
- Open access
- gold
- doi.org
- Licence
- Locations
- The Lancet Digital Health (publishedVersion, cc-by-nc-nd)
- PubMed Central (publishedVersion, cc-by-nc-nd)
- PubMed (publishedVersion)
- DOAJ (DOAJ: Directory of Open Access Journals) (submittedVersion, cc-by-sa)
- reponame:Expeditio Repositorio Institucional UJTL
- Funders
- National Science Foundation (2027970, 1750326, HHSN261200800001E)
- Cleveland Clinic
- Frederick National Laboratory for Cancer Research (HHSN261200800001E.)
- National Institutes of Health (#HHSN261200800001E, COVID-19, HHSN261200800001C)
- National Institute on Aging (R01AG066707)
- National Heart, Lung, and Blood Institute (R00HL138272, HHSN261200800001E)
- Office of Naval Research (N00014-18-1-2585, N00014)
- National Cancer Institute (HHSN261200800001E))
- Topics
- Life Sciences › Pharmacology, Toxicology and Pharmaceutics › Drug Discovery › Computational Drug Discovery Methods
- Health Sciences › Medicine › Health Informatics › Artificial Intelligence in Healthcare and Education
- Health Sciences › Medicine › Radiology, Nuclear Medicine and Imaging › COVID-19 diagnosis using AI
- Keywords
- drug repurposing, COVID-19 pandemic, artificial intelligence, network medicine, precision medicine, drug target identification, drug development acceleration, big data
- MeSH terms
- SARS-CoV-2, COVID-19 Drug Treatment, Algorithms, Antiviral Agents, Artificial Intelligence, Drug Therapy, Combination, Humans, Treatment Outcome, Drug Discovery, Drug Repositioning
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