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Gas-phase structures reflect the pain-relief potency of enkephalin peptides

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Abstract

We use cold ion spectroscopy and quantum-chemical computations to solve the structures of opioid peptides enkephalins in the gas phase. The derived structural parameters clearly correlate with the known pharmacological efficiency of the studied drugs, suggesting that gas-phase methods, perhaps, can be used for predicting the relative potency of ligand drugs that target the hydrophobic pockets of receptors.

Graphical abstract: Gas-phase structures reflect the pain-relief potency of enkephalin peptides

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Publication details

The article was received on 23 Jul 2019, accepted on 24 Sep 2019 and first published on 24 Sep 2019


Article type: Communication
DOI: 10.1039/C9CP04098F
Phys. Chem. Chem. Phys., 2019, Advance Article

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    Gas-phase structures reflect the pain-relief potency of enkephalin peptides

    A. Y. Pereverzev, I. Szabó, V. N. Kopysov, E. Rosta and O. V. Boyarkin, Phys. Chem. Chem. Phys., 2019, Advance Article , DOI: 10.1039/C9CP04098F

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