Article ; Online: Kobophenol A Inhibits Binding of Host ACE2 Receptor with Spike RBD Domain of SARS-CoV-2, a Lead Compound for Blocking COVID-19.
The journal of physical chemistry letters
2021 Volume 12, Issue 7, Page(s) 1793–1802
Abstract: In the search for inhibitors of COVID-19, we have targeted the interaction between the human angiotensin-converting enzyme 2 (ACE2) receptor and the spike receptor binding domain (S1-RBD) of SARS-CoV-2. Virtual screening of a library of natural compounds ...
| Abstract | In the search for inhibitors of COVID-19, we have targeted the interaction between the human angiotensin-converting enzyme 2 (ACE2) receptor and the spike receptor binding domain (S1-RBD) of SARS-CoV-2. Virtual screening of a library of natural compounds identified Kobophenol A as a potential inhibitor. Kobophenol A was then found to block the interaction between the ACE2 receptor and S1-RBD |
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| MeSH term(s) | Angiotensin-Converting Enzyme 2/metabolism ; Animals ; Chlorocebus aethiops ; Computer Simulation ; Drug Design ; Humans ; Hydrophobic and Hydrophilic Interactions ; Molecular Docking Simulation ; Protein Binding ; Receptors, Coronavirus/metabolism ; SARS-CoV-2/drug effects ; SARS-CoV-2/metabolism ; Spike Glycoprotein, Coronavirus/metabolism ; Stilbenes/pharmacology ; Vero Cells ; COVID-19 Drug Treatment |
| Chemical Substances | Receptors, Coronavirus ; Spike Glycoprotein, Coronavirus ; Stilbenes ; kobophenol A ; spike protein, SARS-CoV-2 ; ACE2 protein, human (EC 3.4.17.23) ; Angiotensin-Converting Enzyme 2 (EC 3.4.17.23) |
| Language | English |
| Publishing date | 2021-02-12 |
| Publishing country | United States |
| Document type | Journal Article |
| ISSN | 1948-7185 |
| ISSN (online) | 1948-7185 |
| DOI | 10.1021/acs.jpclett.0c03119 |
| Database | MEDical Literature Analysis and Retrieval System OnLINE |
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