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/ .
【저자키워드】 TMPRSS2, 【초록키워드】 SARS-CoV-2, ACE2, SARS-CoV, COVID-19 pandemic, drugs, SARS-CoV-2 virus, drug, 3CLpro, docking, protease, MERS, database, viral entry, binding affinity, Spike protein, Health crisis, Novel coronavirus, Papain-like protease, Protein, Health, Viral, nucleocapsid, RdRP, RNA-dependent RNA polymerase, virus replication, PLPro, information, Taiwan, Enzymes, Human angiotensin-converting enzyme 2, angiotensin, family member, Health Insurance, (RdRp), National Health Insurance, insurance, user, Serine, enzyme, human Angiotensin-converting enzyme, transmembrane serine protease, help, Papain, priming, ENCODE, effective, Seven, develop, reported, provide, the binding affinity, the SARS-CoV-2 virus, 【제목키워드】 SARS-CoV-2, database,