Author: Carolina Corrêa Giron; Aatto Laaksonen; Fernando L. Barroso da Silva
Title: On the interactions of the receptor-binding domain of SARS-CoV-1 and SARS-CoV-2 spike proteins with monoclonal antibodies and the receptor ACE2 Document date: 2020_4_10
ID: 4mv6qwpc_32
Snippet: Free energies of interactions were calculated for several molecular complexes involving the RBD of SARS-CoV-1 and 2 spike proteins. The present theoretical results confirmed that both RBD proteins have similar binding affinity to the ACE2 as previously reported in experimental studies. This is observed at both acid and neutral pH regimes which probably indicates that the medium pH it is not so relevant for the beginning of the viral cell invasion.....
Document: Free energies of interactions were calculated for several molecular complexes involving the RBD of SARS-CoV-1 and 2 spike proteins. The present theoretical results confirmed that both RBD proteins have similar binding affinity to the ACE2 as previously reported in experimental studies. This is observed at both acid and neutral pH regimes which probably indicates that the medium pH it is not so relevant for the beginning of the viral cell invasion. pH seems to be more important for the next steps of the viral infection and not at the first entry level. This has a direct implication for the drug development since the proposal of some like chloroquine is to raise cell pH.
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