Author: Ivan Mercurio; Vincenzo Tragni; Francesco Busco; Anna De Grassi; Ciro Leonardo Pierri
Title: Protein structure analysis of the interactions between SARS-CoV-2 spike protein and the human ACE2 receptor: from conformational changes to novel neutralizing antibodies Document date: 2020_4_18
ID: mswmkgl4_71
Snippet: At the same time, already at the preclinical level, the administered vaccines based on the administration of the entire SARS-CoV-2 spike protein ((56-58) or on the administration of the single SARS-CoV-2 spike RBD, will induce the production of specific antibodies that might be sequenced and modelled in silico. On this concern, the provided molecular network will help in quantifying interactions between SARS-CoV-2 RBD (also in cases of different .....
Document: At the same time, already at the preclinical level, the administered vaccines based on the administration of the entire SARS-CoV-2 spike protein ((56-58) or on the administration of the single SARS-CoV-2 spike RBD, will induce the production of specific antibodies that might be sequenced and modelled in silico. On this concern, the provided molecular network will help in quantifying interactions between SARS-CoV-2 RBD (also in cases of different RBD variants (86) ) and the newly investigated antibodies, i.e.lower the calculated binding energy in the modelled complex, higher the likelihood to have more success with the investigated vaccines/antibodies. The discovered antibodies with the highest affinity for RBD might also be implemented in a diagnosis kit aiming to the early identification of SARS-CoV-2 in sera, also in asymptomatic people.
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