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DockCoV2: a drug database against SARS-CoV-2
The current state of the COVID-19 pandemic is a global health crisis. To fight the novel coronavirus, one of the best-known ways is to block enzymes essential for virus replication. Currently, we know that the SARS-CoV-2 virus encodes about 29 proteins such as spike protein, 3C-like protease (3CLpro...
Autores principales: | , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Oxford University Press
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7778986/ https://www.ncbi.nlm.nih.gov/pubmed/33035337 http://dx.doi.org/10.1093/nar/gkaa861 |
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author | Chen, Ting-Fu Chang, Yu-Chuan Hsiao, Yi Lee, Ko-Han Hsiao, Yu-Chun Lin, Yu-Hsiang Tu, Yi-Chin Ethan Huang, Hsuan-Cheng Chen, Chien-Yu Juan, Hsueh-Fen |
author_facet | Chen, Ting-Fu Chang, Yu-Chuan Hsiao, Yi Lee, Ko-Han Hsiao, Yu-Chun Lin, Yu-Hsiang Tu, Yi-Chin Ethan Huang, Hsuan-Cheng Chen, Chien-Yu Juan, Hsueh-Fen |
author_sort | Chen, Ting-Fu |
collection | PubMed |
description | The current state of the COVID-19 pandemic is a global health crisis. To fight the novel coronavirus, one of the best-known ways is to block enzymes essential for virus replication. Currently, we know that the SARS-CoV-2 virus encodes about 29 proteins such as spike protein, 3C-like protease (3CLpro), RNA-dependent RNA polymerase (RdRp), Papain-like protease (PLpro), and nucleocapsid (N) protein. SARS-CoV-2 uses human angiotensin-converting enzyme 2 (ACE2) for viral entry and transmembrane serine protease family member II (TMPRSS2) for spike protein priming. Thus in order to speed up the discovery of potential drugs, we develop DockCoV2, a drug database for SARS-CoV-2. DockCoV2 focuses on predicting the binding affinity of FDA-approved and Taiwan National Health Insurance (NHI) drugs with the seven proteins mentioned above. This database contains a total of 3,109 drugs. DockCoV2 is easy to use and search against, is well cross-linked to external databases, and provides the state-of-the-art prediction results in one site. Users can download their drug-protein docking data of interest and examine additional drug-related information on DockCoV2. Furthermore, DockCoV2 provides experimental information to help users understand which drugs have already been reported to be effective against MERS or SARS-CoV. DockCoV2 is available at https://covirus.cc/drugs/. |
format | Online Article Text |
id | pubmed-7778986 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | Oxford University Press |
record_format | MEDLINE/PubMed |
spelling | pubmed-77789862021-01-06 DockCoV2: a drug database against SARS-CoV-2 Chen, Ting-Fu Chang, Yu-Chuan Hsiao, Yi Lee, Ko-Han Hsiao, Yu-Chun Lin, Yu-Hsiang Tu, Yi-Chin Ethan Huang, Hsuan-Cheng Chen, Chien-Yu Juan, Hsueh-Fen Nucleic Acids Res Database Issue The current state of the COVID-19 pandemic is a global health crisis. To fight the novel coronavirus, one of the best-known ways is to block enzymes essential for virus replication. Currently, we know that the SARS-CoV-2 virus encodes about 29 proteins such as spike protein, 3C-like protease (3CLpro), RNA-dependent RNA polymerase (RdRp), Papain-like protease (PLpro), and nucleocapsid (N) protein. SARS-CoV-2 uses human angiotensin-converting enzyme 2 (ACE2) for viral entry and transmembrane serine protease family member II (TMPRSS2) for spike protein priming. Thus in order to speed up the discovery of potential drugs, we develop DockCoV2, a drug database for SARS-CoV-2. DockCoV2 focuses on predicting the binding affinity of FDA-approved and Taiwan National Health Insurance (NHI) drugs with the seven proteins mentioned above. This database contains a total of 3,109 drugs. DockCoV2 is easy to use and search against, is well cross-linked to external databases, and provides the state-of-the-art prediction results in one site. Users can download their drug-protein docking data of interest and examine additional drug-related information on DockCoV2. Furthermore, DockCoV2 provides experimental information to help users understand which drugs have already been reported to be effective against MERS or SARS-CoV. DockCoV2 is available at https://covirus.cc/drugs/. Oxford University Press 2020-10-09 /pmc/articles/PMC7778986/ /pubmed/33035337 http://dx.doi.org/10.1093/nar/gkaa861 Text en © The Author(s) 2020. Published by Oxford University Press on behalf of Nucleic Acids Research. http://creativecommons.org/licenses/by/4.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Database Issue Chen, Ting-Fu Chang, Yu-Chuan Hsiao, Yi Lee, Ko-Han Hsiao, Yu-Chun Lin, Yu-Hsiang Tu, Yi-Chin Ethan Huang, Hsuan-Cheng Chen, Chien-Yu Juan, Hsueh-Fen DockCoV2: a drug database against SARS-CoV-2 |
title | DockCoV2: a drug database against SARS-CoV-2 |
title_full | DockCoV2: a drug database against SARS-CoV-2 |
title_fullStr | DockCoV2: a drug database against SARS-CoV-2 |
title_full_unstemmed | DockCoV2: a drug database against SARS-CoV-2 |
title_short | DockCoV2: a drug database against SARS-CoV-2 |
title_sort | dockcov2: a drug database against sars-cov-2 |
topic | Database Issue |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7778986/ https://www.ncbi.nlm.nih.gov/pubmed/33035337 http://dx.doi.org/10.1093/nar/gkaa861 |
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