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Using informative features in machine learning based method for COVID-19 drug repurposing
Inst Res Fundamental Sci IPM, Sch Biol Sci, Tehran, Iran..ORCID iD: 0000-0001-9045-9592
Islamic Azad Univ, Dept Math, Qazvin Branch, Qazvin, Iran..
KTH, School of Electrical Engineering and Computer Science (EECS), Computer Science, Computational Science and Technology (CST). KTH, Centres, Science for Life Laboratory, SciLifeLab.
2021 (English)In: Journal of Cheminformatics, E-ISSN 1758-2946, Vol. 13, no 1, article id 70Article in journal (Refereed) Published
Abstract [en]

Coronavirus disease 2019 (COVID-19) is caused by a novel virus named Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). This virus induced a large number of deaths and millions of confirmed cases worldwide, creating a serious danger to public health. However, there are no specific therapies or drugs available for COVID-19 treatment. While new drug discovery is a long process, repurposing available drugs for COVID-19 can help recognize treatments with known clinical profiles. Computational drug repurposing methods can reduce the cost, time, and risk of drug toxicity. In this work, we build a graph as a COVID-19 related biological network. This network is related to virus targets or their associated biological processes. We select essential proteins in the constructed biological network that lead to a major disruption in the network. Our method from these essential proteins chooses 93 proteins related to COVID-19 pathology. Then, we propose multiple informative features based on drug-target and protein-protein interaction information. Through these informative features, we find five appropriate clusters of drugs that contain some candidates as potential COVID-19 treatments. To evaluate our results, we provide statistical and clinical evidence for our candidate drugs. From our proposed candidate drugs, 80% of them were studied in other studies and clinical trials.

Place, publisher, year, edition, pages
Springer Nature , 2021. Vol. 13, no 1, article id 70
Keywords [en]
Coronavirus disease 2019, SARS-CoV-2, Protein-protein interaction, Clustering method
National Category
Medical and Health Sciences
Identifiers
URN: urn:nbn:se:kth:diva-303049DOI: 10.1186/s13321-021-00553-9ISI: 000698428500001PubMedID: 34544500Scopus ID: 2-s2.0-85115141169OAI: oai:DiVA.org:kth-303049DiVA, id: diva2:1600920
Note

QC 20211006

Available from: 2021-10-06 Created: 2021-10-06 Last updated: 2022-06-25Bibliographically approved

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Taheri, Golnaz

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