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Investigation into SARS-CoV-2 Resistance of Compounds in Garlic Essential Oil
Journal
ACS Omega
ISSN
2470-1343
2470-1343
Date Issued
2020
Author(s)
Bui Thi Phuong Thuy
Tran Thi Ai My
Nguyen Thi Thanh Hai
Le Trung Hieu
Tran Thai Hoa
Huynh Thi Phuong Loan
Nguyen Thanh Triet
Tran Thi Van Anh
Phan Tu Quy
Pham Van Tat
Nguyen Van Hue
Duong Tuan Quang
Nguyen Tien Trung
Vo Thanh Tung
Lam K. Huynh
Nguyen Thi Ai Nhung
DOI
10.1021/acsomega.0c00772
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
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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