scholarly journals Protein structure analysis of the interactions between SARS-CoV-2 spike protein and the human ACE2 receptor: from conformational changes to novel neutralizing antibodies

2020 ◽  
Author(s):  
Ivan Mercurio ◽  
Vincenzo Tragni ◽  
Francesco Busto ◽  
Anna De Grassi ◽  
Ciro Leonardo Pierri
Keyword(s):  
Protein Structure ◽  
Structure Analysis ◽  
Conformational Changes ◽  
Neutralizing Antibodies ◽  
Spike Protein ◽  
Protein Structure Analysis

scholarly journals Protein structure analysis of the interactions between SARS-CoV-2 spike protein and the human ACE2 receptor: from conformational changes to novel neutralizing antibodies

2020 ◽  
Author(s):  
Ivan Mercurio ◽  
Vincenzo Tragni ◽  
Francesco Busco ◽  
Anna De Grassi ◽  
Ciro Leonardo Pierri
Keyword(s):  
Conformational Changes ◽  
In Silico ◽  
Neutralizing Antibodies ◽  
Virus Disease ◽  
Physical Space ◽  
Human Cells ◽  
Spike Protein ◽  
World Health ◽  
Protein Structure Analysis ◽  
High Affinity

ABSTRACTThe recent severe acute respiratory syndrome, known as Corona Virus Disease 2019 (COVID-19) has spread so much rapidly and severely to induce World Health Organization (WHO) to declare state of emergency over the new coronavirus SARS-CoV-2 pandemic. While several countries have chosen the almost complete lock-down for slowing down SARS-CoV-2 spread, scientific community is called to respond to the devastating outbreak by identifying new tools for diagnosis and treatment of the dangerous COVID-19. With this aim we performed an in silico comparative modeling analysis, which allows to gain new insights about the main conformational changes occurring in the SARS-CoV-2 spike protein, at the level of the receptor binding domain (RBD), along interactions with human cells angiotensin converting enzyme 2 (ACE2) receptor, that favour human cell invasion. Furthermore, our analysis provides i) an ideal pipeline to identify already characterized antibodies that might target SARS-CoV-2 spike RBD, for preventing interactions with the human ACE2, and ii) instructions for building new possible neutralizing antibodies, according to chemical/physical space restraints and complementary determining regions (CDR) mutagenesis of the identified existing antibodies. The proposed antibodies show in silico a high affinity for SARS-CoV-2 spike RBD and can be used as reference antibodies also for building new high affinity antibodies against present and future coronavirus able to invade human cells through interactions of their spike proteins with the human ACE2. More in general, our analysis provides indications for the set-up of the right biological molecular context for investigating spike RBD-ACE2 interactions for the development of new vaccines, diagnosis kits and other treatments based on the usage or the targeting of SARS-CoV-2 spike protein.

An object-oriented database for protein structure analysis

1990 ◽  
Vol 3 (4) ◽  
pp. 235-243 ◽  
Author(s):  
Peter M.D. Gray ◽  
Norman W. Paton ◽  
Graham J.L. Kemp ◽  
John E. Fothergill
Keyword(s):  
Protein Structure ◽  
Structure Analysis ◽  
Object Oriented ◽  
Protein Structure Analysis ◽  
Object Oriented Database

15th Meeting on Methods in Protein Structure Analysis

2004 ◽  
Vol 1 (4) ◽  
pp. 397-399 ◽  
Author(s):  
Marc HV Van Regenmortel
Keyword(s):  
Protein Structure ◽  
Structure Analysis ◽  
Protein Structure Analysis

C6-P-06The cold FEG STEM brings the modulation-free image suitable for protein structure analysis

Microscopy ◽  
2015 ◽  
Vol 64 (suppl 1) ◽  
pp. i143.1-i143
Author(s):  
Tomoharu Matsumoto ◽  
Takeshi Sunaoshi ◽  
Jiro Usukura ◽  
Akihiro Narita
Keyword(s):  
Protein Structure ◽  
Structure Analysis ◽  
Protein Structure Analysis
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