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

Aleksandr Y. Pereverzev; István Szabó; Vladimir N. Kopysov; Edina Rosta; Oleg V. Boyarkin

doi:10.1039/c9cp04098f

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

Aleksandr Y. Pereverzev
, István Szabó
, Vladimir N. Kopysov
, Edina Rosta
, Oleg V. Boyarkin^*

^*Corresponding author for this work

École Polytechnique Fédérale de Lausanne
King's College London

Research output: Contribution to journal › Article › peer-review

5 Citations (Scopus)

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.

Original language	English
Pages (from-to)	22700-22703
Number of pages	4
Journal	Physical Chemistry Chemical Physics
Volume	21
Issue number	41
DOIs	https://doi.org/10.1039/c9cp04098f
Publication status	Published - 1 Jan 2019

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AU - Pereverzev, Aleksandr Y.

AU - Szabó, István

AU - Kopysov, Vladimir N.

AU - Rosta, Edina

AU - Boyarkin, Oleg V.

PY - 2019/1/1

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N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/85074118621

U2 - 10.1039/c9cp04098f

DO - 10.1039/c9cp04098f

M3 - Article

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VL - 21

SP - 22700

EP - 22703

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 41

ER -

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

Abstract

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