Author: Fabiana Renzi; Dario Ghersi
Title: ACE2 fragment as a decoy for novel SARS-Cov-2 virus Document date: 2020_4_10
ID: 77ku0164_2
Snippet: We identified a minimal ACE2 fragment consisting of two α-helices that retains most of the key interactions with the S protein without interfering with its physiological ligand an-giotensinII. Using molecular dynamics (MD) simulations we confirmed that the peptide remains stable in complex with the S-protein. Further, the peptide appears to be stable in an aqueous environment. We conclude by highlighting the potential therapeutic applications of.....
Document: We identified a minimal ACE2 fragment consisting of two α-helices that retains most of the key interactions with the S protein without interfering with its physiological ligand an-giotensinII. Using molecular dynamics (MD) simulations we confirmed that the peptide remains stable in complex with the S-protein. Further, the peptide appears to be stable in an aqueous environment. We conclude by highlighting the potential therapeutic applications of this peptide in terms of scalability, lack of toxicity and immunogenicity, possible administration routes, and potential applications in diagnostic tests. dinates of the S-protein in the pre-fusion conformation (conformation 3 with CTD1 open at 111.6º, which is the physiological state when the S protein binds to the ACE2 receptor). The comparison of the crystal and EM structures did not show evident deviations in the tertiary or secondary structure in regions corresponding to the S-protein binding site (not shown).
Search related documents:
Co phrase search for related documents- administration route and possible administration route: 1, 2, 3, 4, 5
- administration route and potential application: 1
- administration route and stable remain: 1
- administration route and therapeutic application: 1, 2
- aqueous environment and binding site: 1
- aqueous environment and giotensinII physiological ligand: 1
- aqueous environment and giotensinII physiological ligand interfere: 1
- aqueous environment and molecular dynamic: 1
- aqueous environment and physiological ligand: 1
- aqueous environment and potential application: 1
- binding site and diagnostic test: 1
- binding site and EM crystal: 1, 2
- binding site and key interaction: 1, 2, 3, 4
- binding site and MD molecular dynamic: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10
- binding site and MD molecular dynamic simulation: 1, 2, 3
- binding site and molecular dynamic: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37
- binding site and physiological ligand: 1
- binding site and physiological state: 1
- binding site and potential application: 1, 2, 3, 4, 5
Co phrase search for related documents, hyperlinks ordered by date