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Drug repurposing against SARS-CoV-2 using computational approaches.
Kumar, Sumit; Kovalenko, Svitlana; Bhardwaj, Shakshi; Sethi, Aaftaab; Gorobets, Nikolay Yu; Desenko, Sergey M; Rathi, Brijesh.
  • Kumar S; Department of Chemistry, Miranda House, University of Delhi, Delhi 110007, India.
  • Kovalenko S; Department of Organic and Bioorganic Chemistry, State Scientific Institution 'Institute for Single Crystals', National Academy of Sciences of Ukraine, Nauky Ave. 60, Kharkiv 61001, Ukraine.
  • Bhardwaj S; Laboratory for Translational Chemistry and Drug Discovery, Department of Chemistry, Hansraj College, University of Delhi, India.
  • Sethi A; Laboratory for Translational Chemistry and Drug Discovery, Department of Chemistry, Hansraj College, University of Delhi, India.
  • Gorobets NY; Department of Organic and Bioorganic Chemistry, State Scientific Institution 'Institute for Single Crystals', National Academy of Sciences of Ukraine, Nauky Ave. 60, Kharkiv 61001, Ukraine. Electronic address: nikolay.gorobets@gmail.com.
  • Desenko SM; Department of Organic and Bioorganic Chemistry, State Scientific Institution 'Institute for Single Crystals', National Academy of Sciences of Ukraine, Nauky Ave. 60, Kharkiv 61001, Ukraine.
  • Poonam; Department of Chemistry, Miranda House, University of Delhi, Delhi 110007, India. Electronic address: poonam.chemistry@mirandahouse.ac.in.
  • Rathi B; Laboratory for Translational Chemistry and Drug Discovery, Department of Chemistry, Hansraj College, University of Delhi, India. Electronic address: brijeshrathi@hrc.du.ac.in.
Drug Discov Today ; 27(7): 2015-2027, 2022 07.
Article in English | MEDLINE | ID: covidwho-1704646
ABSTRACT
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic has generated a critical need for treatments to reduce morbidity and mortality associated with this disease. However, traditional drug development takes many years, which is not practical solution given the current pandemic. Therefore, a viable option is to repurpose existing drugs. The structural data of several proteins vital for the virus became available shortly after the start of the pandemic. In this review, we discuss the importance of these targets and their available potential inhibitors predicted by the computational approaches. Among the hits identified by computational approaches, 35 candidates were suggested for further evaluation, among which ten drugs are in clinical trials (Phase III and IV) for treating Coronavirus 2019 (COVID-19).
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Full text: Available Collection: International databases Database: MEDLINE Main subject: SARS-CoV-2 / COVID-19 Drug Treatment Type of study: Experimental Studies / Prognostic study Limits: Humans Language: English Journal: Drug Discov Today Journal subject: Pharmacology / Drug Therapy Year: 2022 Document Type: Article Affiliation country: J.drudis.2022.02.004

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Full text: Available Collection: International databases Database: MEDLINE Main subject: SARS-CoV-2 / COVID-19 Drug Treatment Type of study: Experimental Studies / Prognostic study Limits: Humans Language: English Journal: Drug Discov Today Journal subject: Pharmacology / Drug Therapy Year: 2022 Document Type: Article Affiliation country: J.drudis.2022.02.004