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Study of Specific Receptor Binding Mode Suggests a Possible Enzymatic Disinfectant for SARS-CoV-2.

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.

SUBMITTER: Cao Y

PROVIDER: S-EPMC7874500 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature

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Study of Specific Receptor Binding Mode Suggests a Possible Enzymatic Disinfectant for SARS-CoV-2.

Cao Yufei Y Ge Jun J

Langmuir : the ACS journal of surfaces and colloids 20210129 5

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 ...[more]

PMID: 33512172

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Project description:In late 2019, a novel coronavirus began circulating within humans in central China. It was designated SARS-CoV-2 because of its genetic similarities to the 2003 SARS coronavirus (SARS-CoV). Now that SARS-CoV-2 has spread worldwide, there is a risk of it establishing new animal reservoirs and recombination with native circulating coronaviruses. To screen local animal populations in the United States for exposure to SARS-like coronaviruses, we developed a serological assay using the receptor binding domain (RBD) from SARS-CoV-2. SARS-CoV-2's RBD is antigenically distinct from common human and animal coronaviruses, allowing us to identify animals previously infected with SARS-CoV or SARS-CoV-2. Using an indirect enzyme-linked immunosorbent assay (ELISA) for SARS-CoV-2's RBD, we screened serum from wild and domestic animals for the presence of antibodies against SARS-CoV-2's RBD. Surprisingly prepandemic feline serum samples submitted to the University of Tennessee Veterinary Hospital were ∼50% positive for anti-SARS RBD antibodies. Some of these samples were serologically negative for feline coronavirus (FCoV), raising the question of the etiological agent generating anti-SARS-CoV-2 RBD cross-reactivity. We also identified several white-tailed deer from South Carolina with anti-SARS-CoV-2 antibodies. These results are intriguing, as cross-reactive antibodies toward SARS-CoV-2 RBD have not been reported to date. The etiological agent responsible for seropositivity was not readily apparent, but finding seropositive cats prior to the current SARS-CoV-2 pandemic highlights our lack of information about circulating coronaviruses in other species. IMPORTANCE We report cross-reactive antibodies from prepandemic cats and postpandemic South Carolina white-tailed deer that are specific for that SARS-CoV RBD. There are several potential explanations for this cross-reactivity, each with important implications to coronavirus disease surveillance. Perhaps the most intriguing possibility is the existence and transmission of an etiological agent (such as another coronavirus) with similarity to SARS-CoV-2's RBD region. However, we lack conclusive evidence of prepandemic transmission of a SARS-like virus. Our findings provide impetus for the adoption of a One Health Initiative focusing on infectious disease surveillance of multiple animal species to predict the next zoonotic transmission to humans and future pandemics.

Dataset Information

Study of Specific Receptor Binding Mode Suggests a Possible Enzymatic Disinfectant for SARS-CoV-2.

Publications

Study of Specific Receptor Binding Mode Suggests a Possible Enzymatic Disinfectant for SARS-CoV-2.

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