Study of Specific Receptor Binding Mode Suggests a Possible Enzymatic Disinfectant for SARS-CoV-2.
Langmuir
; 37(5): 1707-1713, 2021 02 09.
Article
in English
| MEDLINE | ID: covidwho-1053964
ABSTRACT
The outbreak of the coronavirus disease 2019 (COVID-19) caused by SARS-CoV-2 has spread globally. SARS-CoV-2 enters human cells by utilizing the receptor-binding domain (RBD) of an envelope homotrimeric spike (S) glycoprotein to interact with the cellular receptor angiotensin-converting enzyme 2 (ACE2). We thoroughly studied the differences between the two RBDs of SARS-CoV and SARS-CoV-2 when they bind with ACE2 through molecular dynamics simulations. The peculiarities of the SARS-CoV-2 RBD are obvious in several aspects such as fluctuation of the binding interface, distribution of binding free energy on residues of the receptor-binding motifs, and the dissociation process. Based on these peculiarities of SARS-CoV-2 revealed by simulations, we proposed a strategy of destroying the RBD of SARS-CoV-2 by employing enzymatic digestion. This unique strategy is promising for developing a skin-friendly, nontoxic, and convenient disinfectant to protect people from infection by SARS-CoV-2.
Full text:
Available
Collection:
International databases
Database:
MEDLINE
Main subject:
Peptide Hydrolases
/
Spike Glycoprotein, Coronavirus
/
Angiotensin-Converting Enzyme 2
/
SARS-CoV-2
Language:
English
Journal:
Langmuir
Journal subject:
Chemistry
Year:
2021
Document Type:
Article
Affiliation country:
Acs.langmuir.0c02911
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