Mimicking trimeric interactions in the aromatic side chains of the proteins: a gas phase study of indole...(pyrrole)2 heterotrimer

The Journal of Chemical Physics
Sumit Kumar, Aloke Das

Abstract

Aromatic trimeric interactions are extremely significant in the stabilization of the specific structures of the proteins as well as protein-protein, and protein-ligand interactions. Here we have reported a direct evidence of the observation of a cyclic asymmetric structure of indole...(pyrrole)(2) trimer bound by three N-H...π hydrogen bonding interactions in a supersonic jet. The experiment has been performed by using resonant two-photon ionization (R2PI), IR-UV, and UV-UV double resonance spectroscopic techniques. Density functional theory (DFT) calculations nicely corroborate the experimental results showing one weakly allowed IR-active band due to symmetric stretch of the N-H bonds and two strongly allowed IR-active bands due to two types of asymmetric stretches of the N-H bonds in the trimer. The present spectroscopic investigation demonstrates that the strength of the three N-H...π bound intermolecular interactions in the cyclic asymmetric trimer is quite different unlike the corresponding interactions of similar strength in a cyclic symmetric trimer.

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Citations

Aug 26, 2017·Physical Chemistry Chemical Physics : PCCP·Kamal K MishraAloke Das
Jun 27, 2018·Physical Chemistry Chemical Physics : PCCP·Santosh K SinghAloke Das
May 13, 2014·Physical Chemistry Chemical Physics : PCCP·J Grant Hill, Aloke Das
Aug 8, 2017·ACS Applied Materials & Interfaces·Dries JonckheereDirk E De Vos

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