A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening.
Drugs
High-Performance Computing in Bioinformatics
Structural Biology
Virology
Journal
iScience
ISSN: 2589-0042
Titre abrégé: iScience
Pays: United States
ID NLM: 101724038
Informations de publication
Date de publication:
19 Feb 2021
19 Feb 2021
Historique:
received:
03
08
2020
revised:
28
10
2020
accepted:
29
12
2020
pubmed:
12
1
2021
medline:
12
1
2021
entrez:
11
1
2021
Statut:
ppublish
Résumé
The unparalleled global effort to combat the continuing severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic over the last year has resulted in promising prophylactic measures. However, a need still exists for cheap, effective therapeutics, and targeting multiple points in the viral life cycle could help tackle the current, as well as future, coronaviruses. Here, we leverage our recently developed, ultra-large-scale
Identifiants
pubmed: 33426509
doi: 10.1016/j.isci.2020.102021
pii: S2589-0042(20)31218-9
pmc: PMC7783459
doi:
Types de publication
Journal Article
Langues
eng
Pagination
102021Subventions
Organisme : NIAID NIH HHS
ID : R01 AI037581
Pays : United States
Organisme : NCI NIH HHS
ID : R01 CA200913
Pays : United States
Organisme : NIGMS NIH HHS
ID : R01 GM136859
Pays : United States
Commentaires et corrections
Type : UpdateOf
Informations de copyright
© 2020 The Author(s).
Déclaration de conflit d'intérêts
M.C. and V.D. report working for Innophore. C.C.G. reports being a shareholder and CEO of Innophore, an enzyme and drug discovery company. G.W. and C.G. report being co-founders of the company Virtual Discovery, Inc., which provides virtual screening services. G.W. reports serving as the director of this company. G.W. reports being a co-founder of PIC Therapeutics, Cellmig Biolabs, and Skinap Therapeutics. H.A. reports being an equity holder in PIC Therapeutics. I.I. and D.R. report working for Enamine, a company that is involved in the synthesis and distribution of chemical building blocks, fragments, and screening compounds. Y.M. reports being a scientific advisor for Enamine. Y.M., O.T., and A.P. report working for Chemspace, a company that is involved in the distribution of chemical building blocks, fragments, and screening compounds. I.D. reports working for UkrOrgSyntez Ltd. (UORSY), a company that is involved in the synthesis of chemical building blocks, fragments, and screening compounds. G.T., S.P., A.S., M.G., N.L., C.H., E.Y., R.L., R.Y., D.P., and J.K. report working for Google, a company that also provides cloud computing services. The research described here is scientifically and financially independent of the efforts in any of the above mentioned companies.
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