General method for kinetic and thermodynamic evaluation of a receptor model peptide-drug molecule interaction studied by surface plasmon resonance

Ádám Juhász, Magdalena Luty-Błocho, Marek Wojnicki, G. Tóth, Edit Csapó

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

This work presents a detailed description of a commonly used and low-cost evaluation process that is simply based on the nonlinear fitting of concentration-, time- and temperature-dependent surface plasmon resonance (SPR) sensorgrams in order to provide kinetic and thermodynamic characterization of a biologically relevant interaction. Regardless of type, this evaluation proceeding is maximally suitable to manage the time-dependent sensor signals of other quasi two-dimensional sensor techniques, like quartz crystal microbalance (QCM) or optical waveguide lightmode spectroscopy (OWLS). Based on the hypothetic reaction schemes, the SPR signals have been fitted by the analytical solutions of the rate equations using optional spreadsheet software. Statistical tests of the goodness of nonlinear fits confirm the application of a reversible, pseudo first order kinetic model, in this way the apparent (k obs ), the association (k a ) and the dissociation (k d ) constants as well as the equilibrium constants (K A ) and the Gibbs free energy change (ΔG) have been calculated at six different temperatures. The enthalpy (ΔH 0 ), entropy (ΔS 0 ) and heat capacity changes (ΔC p ) have also been estimated using nonlinear regression analysis. The sign and values of the state functions approve the presence of a salt bridge between a model polypeptide fragment of human glutamate receptor (ANYT) and kynurenic acid (KYNA) which was confirmed by molecular docking calculations as well.

Original languageEnglish
Pages (from-to)311-318
Number of pages8
JournalMicrochemical Journal
Volume147
DOIs
Publication statusPublished - Jun 1 2019

Fingerprint

Surface plasmon resonance
Thermodynamics
Kynurenic Acid
Peptides
Molecules
Kinetics
Statistical tests
Quartz crystal microbalances
Spreadsheets
Equilibrium constants
Sensors
Glutamate Receptors
Optical waveguides
Gibbs free energy
Regression analysis
Pharmaceutical Preparations
Specific heat
Enthalpy
Entropy
Salts

Keywords

  • AMPA receptor
  • Kynurenic acid
  • Pseudo-first order kinetics
  • Surface plasmon resonance
  • van't Hoff analysis

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy

Cite this

General method for kinetic and thermodynamic evaluation of a receptor model peptide-drug molecule interaction studied by surface plasmon resonance. / Juhász, Ádám; Luty-Błocho, Magdalena; Wojnicki, Marek; Tóth, G.; Csapó, Edit.

In: Microchemical Journal, Vol. 147, 01.06.2019, p. 311-318.

Research output: Contribution to journalArticle

@article{d90eea945c7b46c29e91e4db78463788,
title = "General method for kinetic and thermodynamic evaluation of a receptor model peptide-drug molecule interaction studied by surface plasmon resonance",
abstract = "This work presents a detailed description of a commonly used and low-cost evaluation process that is simply based on the nonlinear fitting of concentration-, time- and temperature-dependent surface plasmon resonance (SPR) sensorgrams in order to provide kinetic and thermodynamic characterization of a biologically relevant interaction. Regardless of type, this evaluation proceeding is maximally suitable to manage the time-dependent sensor signals of other quasi two-dimensional sensor techniques, like quartz crystal microbalance (QCM) or optical waveguide lightmode spectroscopy (OWLS). Based on the hypothetic reaction schemes, the SPR signals have been fitted by the analytical solutions of the rate equations using optional spreadsheet software. Statistical tests of the goodness of nonlinear fits confirm the application of a reversible, pseudo first order kinetic model, in this way the apparent (k obs ), the association (k a ) and the dissociation (k d ) constants as well as the equilibrium constants (K A ) and the Gibbs free energy change (ΔG) have been calculated at six different temperatures. The enthalpy (ΔH 0 ), entropy (ΔS 0 ) and heat capacity changes (ΔC p ) have also been estimated using nonlinear regression analysis. The sign and values of the state functions approve the presence of a salt bridge between a model polypeptide fragment of human glutamate receptor (ANYT) and kynurenic acid (KYNA) which was confirmed by molecular docking calculations as well.",
keywords = "AMPA receptor, Kynurenic acid, Pseudo-first order kinetics, Surface plasmon resonance, van't Hoff analysis",
author = "{\'A}d{\'a}m Juh{\'a}sz and Magdalena Luty-Błocho and Marek Wojnicki and G. T{\'o}th and Edit Csap{\'o}",
year = "2019",
month = "6",
day = "1",
doi = "10.1016/j.microc.2019.03.048",
language = "English",
volume = "147",
pages = "311--318",
journal = "Microchemical Journal",
issn = "0026-265X",
publisher = "Elsevier Inc.",

}

TY - JOUR

T1 - General method for kinetic and thermodynamic evaluation of a receptor model peptide-drug molecule interaction studied by surface plasmon resonance

AU - Juhász, Ádám

AU - Luty-Błocho, Magdalena

AU - Wojnicki, Marek

AU - Tóth, G.

AU - Csapó, Edit

PY - 2019/6/1

Y1 - 2019/6/1

N2 - This work presents a detailed description of a commonly used and low-cost evaluation process that is simply based on the nonlinear fitting of concentration-, time- and temperature-dependent surface plasmon resonance (SPR) sensorgrams in order to provide kinetic and thermodynamic characterization of a biologically relevant interaction. Regardless of type, this evaluation proceeding is maximally suitable to manage the time-dependent sensor signals of other quasi two-dimensional sensor techniques, like quartz crystal microbalance (QCM) or optical waveguide lightmode spectroscopy (OWLS). Based on the hypothetic reaction schemes, the SPR signals have been fitted by the analytical solutions of the rate equations using optional spreadsheet software. Statistical tests of the goodness of nonlinear fits confirm the application of a reversible, pseudo first order kinetic model, in this way the apparent (k obs ), the association (k a ) and the dissociation (k d ) constants as well as the equilibrium constants (K A ) and the Gibbs free energy change (ΔG) have been calculated at six different temperatures. The enthalpy (ΔH 0 ), entropy (ΔS 0 ) and heat capacity changes (ΔC p ) have also been estimated using nonlinear regression analysis. The sign and values of the state functions approve the presence of a salt bridge between a model polypeptide fragment of human glutamate receptor (ANYT) and kynurenic acid (KYNA) which was confirmed by molecular docking calculations as well.

AB - This work presents a detailed description of a commonly used and low-cost evaluation process that is simply based on the nonlinear fitting of concentration-, time- and temperature-dependent surface plasmon resonance (SPR) sensorgrams in order to provide kinetic and thermodynamic characterization of a biologically relevant interaction. Regardless of type, this evaluation proceeding is maximally suitable to manage the time-dependent sensor signals of other quasi two-dimensional sensor techniques, like quartz crystal microbalance (QCM) or optical waveguide lightmode spectroscopy (OWLS). Based on the hypothetic reaction schemes, the SPR signals have been fitted by the analytical solutions of the rate equations using optional spreadsheet software. Statistical tests of the goodness of nonlinear fits confirm the application of a reversible, pseudo first order kinetic model, in this way the apparent (k obs ), the association (k a ) and the dissociation (k d ) constants as well as the equilibrium constants (K A ) and the Gibbs free energy change (ΔG) have been calculated at six different temperatures. The enthalpy (ΔH 0 ), entropy (ΔS 0 ) and heat capacity changes (ΔC p ) have also been estimated using nonlinear regression analysis. The sign and values of the state functions approve the presence of a salt bridge between a model polypeptide fragment of human glutamate receptor (ANYT) and kynurenic acid (KYNA) which was confirmed by molecular docking calculations as well.

KW - AMPA receptor

KW - Kynurenic acid

KW - Pseudo-first order kinetics

KW - Surface plasmon resonance

KW - van't Hoff analysis

UR - http://www.scopus.com/inward/record.url?scp=85063108815&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85063108815&partnerID=8YFLogxK

U2 - 10.1016/j.microc.2019.03.048

DO - 10.1016/j.microc.2019.03.048

M3 - Article

AN - SCOPUS:85063108815

VL - 147

SP - 311

EP - 318

JO - Microchemical Journal

JF - Microchemical Journal

SN - 0026-265X

ER -