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Identification of novel drug scaffolds for inhibition of SARS-CoV 3-Chymotrypsin-like protease using virtual and high-throughput screenings

We have used a combination of virtual screening (VS) and high-throughput screening (HTS) techniques to identify novel, non-peptidic small molecule inhibitors against human SARS-CoV 3CLpro. A structure-based VS approach integrating docking and pharmacophore based methods was employed to computational...

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Detalles Bibliográficos
Autores principales:	Lee, Hyun, Mittal, Anuradha, Patel, Kavankumar, Gatuz, Joseph L., Truong, Lena, Torres, Jaime, Mulhearn, Debbie C., Johnson, Michael E.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Published by Elsevier Ltd. 2014
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3971864/ https://www.ncbi.nlm.nih.gov/pubmed/24332657 http://dx.doi.org/10.1016/j.bmc.2013.11.041

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