DockCoV2: A drug database against SARS-CoV-2
Journal
Nucleic Acids Research
Journal Volume
49
Journal Issue
D1
Pages
D1152-D1159
Date Issued
2021
Author(s)
Chen T.-F
Chang Y.-C
Hsiao Y
Lee K.-H
Hsiao Y.-C
Lin Y.-H
Tu Y.-C.E
Huang H.-C
Chen C.-Y
Abstract
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/. ? 2021 The Author(s) 2020. Published by Oxford University Press on behalf of Nucleic Acids Research.
Subjects
angiotensin converting enzyme 2; coronavirus 3C protease; coronavirus papain-like protease; coronavirus RNA dependent RNA polymerase; transmembrane protease serine 2; antivirus agent; protein binding; viral protein; Article; binding affinity; controlled study; cross linking; data processing; DockCoV2; drug database; drug repositioning; high throughput screening; human; information processing; ligand binding; molecular docking; Severe acute respiratory syndrome coronavirus 2; surface area; virtual reality; virus entry; virus nucleocapsid; chemistry; data mining; drug database; drug effect; drug therapy; epidemiology; Internet; metabolism; molecular model; pandemic; physiology; procedures; protein domain; virology; virus replication; Antiviral Agents; COVID-19; Data Curation; Data Mining; Databases, Pharmaceutical; Humans; Internet; Models, Molecular; Pandemics; Protein Binding; Protein Domains; SARS-CoV-2; Viral Proteins; Virus Replication
SDGs
Other Subjects
angiotensin converting enzyme 2; coronavirus 3C protease; coronavirus papain-like protease; coronavirus RNA dependent RNA polymerase; transmembrane protease serine 2; antivirus agent; protein binding; viral protein; Article; binding affinity; controlled study; cross linking; data processing; DockCoV2; drug database; drug repositioning; high throughput screening; human; information processing; ligand binding; molecular docking; Severe acute respiratory syndrome coronavirus 2; surface area; virtual reality; virus entry; virus nucleocapsid; chemistry; data mining; drug database; drug effect; drug therapy; epidemiology; Internet; metabolism; molecular model; pandemic; physiology; procedures; protein domain; virology; virus replication; Antiviral Agents; COVID-19; Data Curation; Data Mining; Databases, Pharmaceutical; Humans; Internet; Models, Molecular; Pandemics; Protein Binding; Protein Domains; SARS-CoV-2; Viral Proteins; Virus Replication
Type
journal article