Author Correction: Novel inhibitors targeting Venezuelan equine encephalitis virus capsid protein identified using In Silico Structure-Based-Drug-Design
| Autor: | Aaron DeBono, David A. Jans, Lindsay Lundberg, Sharon Shechter, Kylie M. Wagstaff, David R. Thomas, Kylene Kehn-Hall, Shih-Chao Lin, Chelsea Pinkham |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
alpha Karyopherins
Drug Nucleocytoplasmic Transport Proteins In silico media_common.quotation_subject Active Transport Cell Nucleus lcsh:Medicine Biology Virus Replication medicine.disease_cause Antiviral Agents Encephalitis Virus Venezuelan Equine Capsid Chlorocebus aethiops Drug Discovery medicine Animals Humans Computer Simulation Author Correction lcsh:Science Vero Cells media_common Cell Nucleus Multidisciplinary lcsh:R beta Karyopherins Virology Drug Design Venezuelan equine encephalitis virus ComputingMethodologies_DOCUMENTANDTEXTPROCESSING Structure based Capsid Proteins lcsh:Q |
| Zdroj: | Scientific Reports, Vol 8, Iss 1, Pp 1-1 (2018) Scientific Reports |
| ISSN: | 2045-2322 |
| DOI: | 10.1038/s41598-018-31644-7 |
| Popis: | Therapeutics are currently unavailable for Venezuelan equine encephalitis virus (VEEV), which elicits flu-like symptoms and encephalitis in humans, with an estimated 14% of cases resulting in neurological disease. Here we identify anti-VEEV agents using in silico structure-based-drug-design (SBDD) for the first time, characterising inhibitors that block recognition of VEEV capsid protein (C) by the host importin (IMP) α/β1 nuclear transport proteins. From an initial screen of 1.5 million compounds, followed by in silico refinement and screening for biological activity in vitro, we identified 21 hit compounds which inhibited IMPα/β1:C binding with IC |
| Databáze: | OpenAIRE |
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