DockCoV2: a drug database against SARS-CoV-2.
Antiviral Agents
/ metabolism
COVID-19
/ epidemiology
Data Curation
/ methods
Data Mining
/ methods
Databases, Pharmaceutical
/ statistics & numerical data
Humans
Internet
Models, Molecular
Pandemics
Protein Binding
/ drug effects
Protein Domains
SARS-CoV-2
/ drug effects
Viral Proteins
/ chemistry
Virus Replication
/ drug effects
COVID-19 Drug Treatment
Journal
Nucleic acids research
ISSN: 1362-4962
Titre abrégé: Nucleic Acids Res
Pays: England
ID NLM: 0411011
Informations de publication
Date de publication:
08 01 2021
08 01 2021
Historique:
accepted:
23
09
2020
revised:
14
09
2020
received:
31
07
2020
pubmed:
10
10
2020
medline:
26
1
2021
entrez:
9
10
2020
Statut:
ppublish
Résumé
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/.
Identifiants
pubmed: 33035337
pii: 5920447
doi: 10.1093/nar/gkaa861
pmc: PMC7778986
doi:
Substances chimiques
Antiviral Agents
0
Viral Proteins
0
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
D1152-D1159Informations de copyright
© The Author(s) 2020. Published by Oxford University Press on behalf of Nucleic Acids Research.
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