Experimental and Theoretical Investigation of the Aromatic-Aromatic Interaction in Isolated Capped Dipeptides

0346449 - ÚOCHB 2011 RIV US eng J - Článek v odborném periodiku
Gloaguen, E. - Valdés, H. - Pagliarulo, F. - Pollet, R. - Tardivel, B. - Hobza, Pavel - Piuzzi, F. - Mons, M.
Experimental and Theoretical Investigation of the Aromatic-Aromatic Interaction in Isolated Capped Dipeptides.
Journal of Physical Chemistry A. Roč. 114, č. 9 (2010), s. 2973-2982. ISSN 1089-5639. E-ISSN 1520-5215
Grant CEP: GA MŠMT LC512
Výzkumný záměr: CEZ:AV0Z40550506
Klíčová slova: aromatic residues interactions * Ac-Phe-Phe-NH2 dipeptides * Ac-Phe-D-Phe-NH2 dipeptides * correlated ab initio calculations
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 2.732, rok: 2010

Among the forces responsible for shaping proteins, interactions between side chains of aromatic residues play an important role as they are involved in the secondary and the tertiary structures of proteins contributing to the formation of hydrophobic domains. The purpose of this paper is to document this interaction in two capped dipeptides modeling a segment of a protein chain having two consecutive Phe residues, Ac-Phe-Phe- NH2 and Ac-Phe-D-Phe-NH2. These two molecules have been investigated in the gas phase by IR/UV double resonance spectroscopy, and the assignment of the observed conformers has been done by comparison with quantum chemistry calculations. Both peptides are found to adopt a-turn type I conformation stabilized by an edge-to-face interaction between the two aromatic rings.
Trvalý link: http://hdl.handle.net/11104/0005983