Non-Covalent Interactions of a Neuroprotective Peptide Revealed by Photodissociative Cross-Linking in the Gas Phase.

Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2018)

The small neuroprotective peptide Cys-Ala-Gln-Lys (CAQK) was selectively tagged with a diazirine group and its photochemical cross-linking was studied with model target peptides. Experimental results in combination with Born-Oppenheimer molecular dynamics revealed the structural preferences for binding to the amino acid residues in the target peptides. Effects of the target peptide sequence and N- and C-terminal modifications are discussed.

Keyphrases

molecular dynamics
amino acid
density functional theory
cerebral ischemia
single cell
low birth weight
brain injury
preterm birth