Wednesday, May 13, 2020

WHERE THE COVID-19 SPIKE ENTERS THE HOST CELL.

. 2020 May;80(5):554-562.
 doi: 10.1016/j.jinf.2020.02.026. Epub 2020 Mar 10.

COVID-19 Spike-Host Cell Receptor GRP78 Binding Site Prediction

Ibrahim M Ibrahim 1, Doaa H Abdelmalek 1, Mohammed E Elshahat 1, Abdo A Elfiky 2
Affiliations 

Abstract

Objectives: Understanding the novel coronavirus (COVID-19) mode of host cell recognition may help to fight the disease and save lives. The spike protein of coronaviruses is the main driving force for host cell recognition.
Methods: In this study, the COVID-19 spike binding site to the cell-surface receptor (Glucose Regulated Protein 78 (GRP78)) is predicted using combined molecular modeling docking and structural bioinformatics. The COVID-19 spike protein is modeled using its counterpart, the SARS spike.
Results: Sequence and structural alignments show that four regions, in addition to its cyclic nature have sequence and physicochemical similarities to the cyclic Pep42. Protein-protein docking was performed to test the four regions of the spike that fit tightly in the GRP78 Substrate Binding Domain β (SBDβ). The docking pose revealed the involvement of the SBDβ of GRP78 and the receptor-binding domain of the coronavirus spike protein in recognition of the host cell receptor.
Conclusions: We reveal that the binding is more favorable between regions III (C391-C525) and IV (C480-C488) of the spike protein model and GRP78. Region IV is the main driving force for GRP78 binding with the predicted binding affinity of -9.8 kcal/mol. These nine residues can be used to develop therapeutics specific against COVID-19.
Keywords: BiP; COVID-19 spike; GRP78; Pep42; Protein-protein docking; Structural bioinformatics.

Conflict of interest statement

Declaration of Competing Interests All of the authors declare that there is no competing interest in this work.

Figures

Fig 1
 
Fig 2
 
Fig 3
 
Fig 4
 
Fig 5

Similar articles

 See all similar articles

Cited by 3 articles

References

    1. Hui D.S., I Azhar E., Madani T.A., Ntoumi F., Kock R., Dar O. Int J Infect Dis. 2020;91:264–266. - PMC - PubMed
    1. Bogoch I.I., Watts A., Thomas-Bachli A., Huber C., Kraemer M.U.G., Khan K. Pneumonia of unknown etiology in Wuhan, China: potential for international spread via commercial air travel. J Travel Med. 2020 - PMC - PubMed
    1. Organization WH. World Health Organization; 2020. Surveillance case definitions for human infection with novel coronavirus ( nCoV): interim guidance v1, January 2020.
    1. Organization WH . World Health Organization; 2020. Laboratory testing of human suspected cases of novel coronavirus ( nCoV) infection: interim guidance, 10 January 2020.
    1. Organization WH . World Health Organization; 2020. Infection prevention and control during health care when novel coronavirus ( nCoV) infection is suspected: interim guidance, January 2020.
 

MeSH terms

Substances

Supplementary concepts

at

No comments:

Post a Comment

Subscribe to: Post Comments (Atom)

Liver-Protecting Fennel Juice [Vegan] This is a juice that you’ve probably never tried before. It uses the vegetable fennel which many peopl...