tetano
Editor, Senior Moderator
Drug Discov Today
. 2022 Feb 10;S1359-6446(22)00044-7.
doi: 10.1016/j.drudis.2022.02.004. Online ahead of print.
Drug repurposing against SARS-CoV-2 using computational approaches
Sumit Kumar[SUP] 1 [/SUP], Svitlana Kovalenko[SUP] 2 [/SUP], Shakshi Bhardwaj[SUP] 3 [/SUP], Aaftaab Sethi[SUP] 3 [/SUP], Nikolay Yu Gorobets[SUP] 4 [/SUP], Sergey M Desenko[SUP] 2 [/SUP], Poonam[SUP] 5 [/SUP], Brijesh Rathi[SUP] 6 [/SUP]
Affiliations
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 on the basis of 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). Teaser: We provide a snapshot of existing drugs explored using computational approaches to search for rapid and effective solutions against SARS-CoV-2.
Keywords: COVID-19; SARS-CoV-2; computational approaches; drug repurposing; molecular docking.
. 2022 Feb 10;S1359-6446(22)00044-7.
doi: 10.1016/j.drudis.2022.02.004. Online ahead of print.
Drug repurposing against SARS-CoV-2 using computational approaches
Sumit Kumar[SUP] 1 [/SUP], Svitlana Kovalenko[SUP] 2 [/SUP], Shakshi Bhardwaj[SUP] 3 [/SUP], Aaftaab Sethi[SUP] 3 [/SUP], Nikolay Yu Gorobets[SUP] 4 [/SUP], Sergey M Desenko[SUP] 2 [/SUP], Poonam[SUP] 5 [/SUP], Brijesh Rathi[SUP] 6 [/SUP]
Affiliations
- PMID: 35151891
- DOI: 10.1016/j.drudis.2022.02.004
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 on the basis of 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). Teaser: We provide a snapshot of existing drugs explored using computational approaches to search for rapid and effective solutions against SARS-CoV-2.
Keywords: COVID-19; SARS-CoV-2; computational approaches; drug repurposing; molecular docking.