@article {235413,
	title = {COVID-19 spike-host cell receptor GRP78 binding site prediction},
	journal = {Journal of Infection},
	volume = {80},
	year = {2020},
	note = {<p>Export Date: 24 May 2024; Cited By: 393</p>
},
	month = {2020},
	pages = {554 - 562},
	abstract = {<p>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. {\textcopyright} 2020</p>
},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85080979697\&doi=10.1016\%2fj.jinf.2020.02.026\&partnerID=40\&md5=b37530eb243fcb23122147331b96fb9f},
	author = {I. M Ibrahim and Abdelmalek, D.H. and Elshahat, M.E. and Elfiky, A.A.}
}
