Gas-phase structures reflect the pain-relief potency of enkephalin peptides.
Phys Chem Chem Phys
; 21(41): 22700-22703, 2019 Oct 24.
Article
em En
| MEDLINE
| ID: mdl-31579899
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.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Análise Espectral
/
Encefalinas
/
Modelos Moleculares
/
Gases
Tipo de estudo:
Prognostic_studies
Limite:
Humans
Idioma:
En
Ano de publicação:
2019
Tipo de documento:
Article