Article ; Online: Investigation into SARS-CoV-2 Resistance of Compounds in Garlic Essential Oil.
ACS omega
2020 Volume 5, Issue 14, Page(s) 8312–8320
Abstract: Eighteen active substances, including 17 organosulfur compounds found in garlic essential oil (T ... organosulfur compounds, accounting for 99.4% contents of the garlic essential oil, have strong interactions ... compounds on the main protease (PDB6LU7) protein of SARS-CoV-2. The results show that the 17 ...
| Abstract | Eighteen active substances, including 17 organosulfur compounds found in garlic essential oil (T), were identified by GC-MS analysis. For the first time, using the molecular docking technique, we report the inhibitory effect of the considered compounds on the host receptor angiotensin-converting enzyme 2 (ACE2) protein in the human body that leads to a crucial foundation about coronavirus resistance of individual compounds on the main protease (PDB6LU7) protein of SARS-CoV-2. The results show that the 17 organosulfur compounds, accounting for 99.4% contents of the garlic essential oil, have strong interactions with the amino acids of the ACE2 protein and the main protease PDB6LU7 of SARS-CoV-2. The strongest anticoronavirus activity is expressed in allyl disulfide and allyl trisulfide, which account for the highest content in the garlic essential oil (51.3%). Interestingly, docking results indicate the synergistic interactions of the 17 substances, which exhibit good inhibition of the ACE2 and PDB6LU7 proteins. The results suggest that the garlic essential oil is a valuable natural antivirus source, which contributes to preventing the invasion of coronavirus into the human body. |
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| Keywords | covid19 |
| Language | English |
| Publishing date | 2020-03-31 |
| Publishing country | United States |
| Document type | Journal Article |
| ISSN | 2470-1343 |
| ISSN (online) | 2470-1343 |
| DOI | 10.1021/acsomega.0c00772 |
| Database | MEDical Literature Analysis and Retrieval System OnLINE |
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