About: Investigation into SARS-CoV-2 Resistance of Compounds in Garlic Essential Oil

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About: Investigation into SARS-CoV-2 Resistance of Compounds in Garlic Essential Oil Goto Sponge NotDistinct Permalink

An Entity of Type : schema:ScholarlyArticle, within Data Space : wasabi.inria.fr associated with source document(s)

Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	Investigation into SARS-CoV-2 Resistance of Compounds in Garlic Essential Oil
Creator	Thi, Nguyen Thi, Tran Trung, Nguyen Vo, Thanh Nguyen, Thanh Thi, Bui Anh, Tu Duong, Tuan Hai, Thanh Hieu, Tran Hoa, Huynh Huynh, Nguyen Le, Trung Loan, My, Ai Nhung, Quang, Quy, Van Tat, Nguyen Thi, Ai Thi, Phuong Thi, Van Thuy, Phuong Triet, Tran Tung, Lam Van Hue,
topic	covid:820c01107439f1962444a44f896fdc6861dc49f2#this
Source	Medline; PMC
abstract	[Image: see text] 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.
has issue date	2020-03-31(xsd:dateTime)
bibo:doi	10.1021/acsomega.0c00772
bibo:pmid	32363255
has license	no-cc
sha1sum (hex)	820c01107439f1962444a44f896fdc6861dc49f2
schema:url	https://doi.org/10.1021/acsomega.0c00772
resource representing a document's title	Investigation into SARS-CoV-2 Resistance of Compounds in Garlic Essential Oil
has PubMed Central identifier	PMC7123907
has PubMed identifier	32363255
schema:publication	ACS Omega
resource representing a document's body	covid:820c01107439f1962444a44f896fdc6861dc49f2#body_text
is http://vocab.deri.ie/void#inDataset of	https://covidontheweb.inria.fr:4443/about/id/http/ns.inria.fr/covid19/820c01107439f1962444a44f896fdc6861dc49f2
is schema:about of	named entity 'content' named entity 'individual' named entity 'Compounds' named entity 'Garlic' named entity 'natural' named entity 'resistance' named entity 'host' named entity 'Picture' named entity 'protein' named entity 'allyl' named entity 'SARS-CoV-2' named entity 'expressed' named entity 'Investigation' named entity 'allyl' named entity 'essential oil' named entity 'SARS-CoV-2' named entity 'garlic' named entity 'ACE2' named entity 'ACE2' named entity 'Merck' named entity 'RMSD' named entity 'medicinal resources' named entity 'garlic' named entity 'Uniprot' named entity 'antifungal' named entity 'lungs' named entity 'essential oil' named entity 'protein' named entity 'garlic' named entity 'protein' named entity 'essential oil' named entity 'Lys' named entity 'molecular structure' named entity 'Tribolium castaneum' named entity 'SARS-CoV-2' named entity 'essential oil' named entity 'essential oil' named entity 'Gln' named entity 'simulated annealing' named entity 'molecular dynamics' named entity 'SARS-CoV-2' named entity 'essential oil' named entity 'Root-mean-square deviation' named entity 'refractive index' named entity 'SARS-CoV-2' named entity 'host-cell' named entity 'essential oil' named entity 'dithiin' named entity 'SARS-CoV-2' named entity 'essential oil' named entity 'coronavirus' named entity 'virus' named entity 'Angiotensin-converting enzyme 2' named entity 'ACE2'

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