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- W4313443927 abstract "Lower respiratory infections are serious issue at all the age groups worldwide during pandemics. It is necessary finding therapeutic molecules to target the virulence factor of lower respiratory infections, in particular. The present study investigates the antibacterial properties of peptides derived from microalgae through in silico studies. Totally, 24 algal peptides were selected based on the studies and the structures were predicted. The virulence factors of the seven different lower respiratory tract pathogens retrieved from PDB were 6BNC; 5CVW; 4K8M; 6RC9; 6E7E; 4P40; 5WOL; 6TWT and 4O6U, and these peptides were docked using Discovery Studio Software. Among 24 peptides derived from Spirulina, seven peptides were significantly bound to the lower respiratory pathogen virulence factors, and their inhibitory effects on the peptides seemed to be promising. A peptide, KLVDASHRLATGDVAVRA derived from Spirulina platensis has an excellent binding and interaction energy to target different lower respiratory tract pathogens with −148.922 kcal/mol and −63.6227 kcal/mol, respectively. It is described molecularly that the carbon and π-donor hydrogen bonds were created with ALA A: 1623, MET A: 1675, ALA A: 1676, ASP A: 1637, and ASP A: 1638. TRP A: 1621 and ARG A: 1632 bonded with π-cation bridges. These peptides could be utilized as therapeutic molecules to target the lower respiratory infections and also pave a way for the development of antimicrobial molecules." @default.
- W4313443927 created "2023-01-06" @default.
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- W4313443927 date "2023-01-01" @default.
- W4313443927 modified "2023-10-16" @default.
- W4313443927 title "An investigation of algal peptides to target protein of lower respiratory tract infections: In silico approach" @default.
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- W4313443927 doi "https://doi.org/10.1016/j.bcab.2022.102585" @default.
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