TY - JOUR
T1 - Binder design for targeting SARS-CoV-2 spike protein
T2 - An in silico perspective
AU - Etemadi, Ali
AU - Moradi, Hamid Reza
AU - Mohammadian, Farideh
AU - Karimi-Jafari, Mohammad Hossein
AU - Negahdari, Babak
AU - Asgari, Yazdan
AU - Mazloomi, Mohammadali
N1 - Publisher Copyright:
© 2021
PY - 2022/3/1
Y1 - 2022/3/1
N2 - Introduction: The COVID-19 pandemic is now affecting all people around the world and getting worse. New antiviral medications are desperately needed other than the few approved medications that have shown no promising efficacy so far. Methods: Here we report three blocking binders for targeting SARS-CoV-2 spike protein to block the interaction between the spike protein on the SARS-CoV-2 and the angiotensin-converting enzyme 2 (ACE2) receptors, responsible for viral homing into the alveolar epithelium type II cells (AECII). Results: The design process is based on the collected natural scaffolds and using Rosetta interface for designing the binders. Conclusion: Based on the structural analysis, three binders were selected, and the results showed that they might be promising as new therapeutic targets for blocking COVID-19.
AB - Introduction: The COVID-19 pandemic is now affecting all people around the world and getting worse. New antiviral medications are desperately needed other than the few approved medications that have shown no promising efficacy so far. Methods: Here we report three blocking binders for targeting SARS-CoV-2 spike protein to block the interaction between the spike protein on the SARS-CoV-2 and the angiotensin-converting enzyme 2 (ACE2) receptors, responsible for viral homing into the alveolar epithelium type II cells (AECII). Results: The design process is based on the collected natural scaffolds and using Rosetta interface for designing the binders. Conclusion: Based on the structural analysis, three binders were selected, and the results showed that they might be promising as new therapeutic targets for blocking COVID-19.
KW - ACE2
KW - Antiviral medications
KW - Binder design
KW - COVID-19
KW - Pandemic
KW - SARS
UR - http://www.scopus.com/inward/record.url?scp=85120415777&partnerID=8YFLogxK
U2 - 10.1016/j.genrep.2021.101452
DO - 10.1016/j.genrep.2021.101452
M3 - Article
AN - SCOPUS:85120415777
SN - 2452-0144
VL - 26
JO - Gene Reports
JF - Gene Reports
M1 - 101452
ER -