Understanding the association of cell-surface proteins (ACE2 and GRP78) facilitating pathogen recognition: a computational approach DOI
Wael M. Elshemey, Ibrahim M. Ibrahim, Abdo A. Elfiky

и другие.

Journal of Receptors and Signal Transduction, Год журнала: 2025, Номер unknown, С. 1 - 7

Опубликована: Май 9, 2025

Angiotensin-converting enzyme 2 (ACE2) has been reported to be the primary host cell receptor for recognizing SARS-CoV and SARS-CoV-2 spike proteins. This host-cell element, despite having a crucial role in normal cells, may hijacked by viruses invade human cells. It that ACE2 trafficking membrane is mediated other cellular factors, such as endoplasmic reticulum resident chaperone, named glucose-regulated protein 78 (GRP78). GRP78 master of unfolded response during stress. study uses sequence alignment, protein-protein docking, molecular dynamics simulation (MDS) predict potential binding sites between two proteins first time aiming understand its viral recognition infection. Results revealed three critical regions (C133-C141, C344-C361, C530-C542), could site from which, second region (C344-C361) suggested best based on MDS, MM-GBSA calculations. These cyclic show similarity (<38% identity) with peptide Pep42, which previously target over cancer approach paves way toward suggesting inhibitors prevention association GRP78.

Язык: Английский

GRP78 and cell-surface GRP78 self-association; In silico perspective DOI
Abdo A. Elfiky, Alaa M. Elgohary

International Journal of Biological Macromolecules, Год журнала: 2025, Номер 307, С. 141844 - 141844

Опубликована: Март 7, 2025

Язык: Английский

Процитировано

1
Understanding the association of cell-surface proteins (ACE2 and GRP78) facilitating pathogen recognition: a computational approach DOI
Wael M. Elshemey, Ibrahim M. Ibrahim, Abdo A. Elfiky

и другие.

Journal of Receptors and Signal Transduction, Год журнала: 2025, Номер unknown, С. 1 - 7

Опубликована: Май 9, 2025

Angiotensin-converting enzyme 2 (ACE2) has been reported to be the primary host cell receptor for recognizing SARS-CoV and SARS-CoV-2 spike proteins. This host-cell element, despite having a crucial role in normal cells, may hijacked by viruses invade human cells. It that ACE2 trafficking membrane is mediated other cellular factors, such as endoplasmic reticulum resident chaperone, named glucose-regulated protein 78 (GRP78). GRP78 master of unfolded response during stress. study uses sequence alignment, protein-protein docking, molecular dynamics simulation (MDS) predict potential binding sites between two proteins first time aiming understand its viral recognition infection. Results revealed three critical regions (C133-C141, C344-C361, C530-C542), could site from which, second region (C344-C361) suggested best based on MDS, MM-GBSA calculations. These cyclic show similarity (<38% identity) with peptide Pep42, which previously target over cancer approach paves way toward suggesting inhibitors prevention association GRP78.

Язык: Английский

Процитировано

0