Interaction of a tyrosine kinase inhibitor, vandetanib with human serum albumin as studied by fluorescence quenching and molecular docking

Journal of Biomolecular Structure & Dynamics
Md Zahirul KabirSaad Tayyab

Abstract

Interaction of a tyrosine kinase inhibitor, vandetanib (VDB) with the major transport protein in the human blood circulation, human serum albumin (HSA) was investigated using fluorescence spectroscopy, circular dichroism spectroscopy and molecular docking analysis. The binding constant of the VDB-HSA system, as determined by fluorescence quenching titration method was found in the range, 8.92-6.89 × 10(3) M(-1) at three different temperatures, suggesting moderate binding affinity. Furthermore, decrease in the binding constant with increasing temperature revealed involvement of static quenching mechanism, thus affirming the formation of the VDB-HSA complex. Thermodynamic analysis of the binding reaction between VDB and HSA yielded positive ΔS (52.76 J mol(-1) K(-1)) and negative ΔH (-6.57 kJ mol(-1)) values, which suggested involvement of hydrophobic interactions and hydrogen bonding in stabilizing the VDB-HSA complex. Far-UV and near-UV CD spectral results suggested alterations in both secondary and tertiary structures of HSA upon VDB binding. Three-dimensional fluorescence results also showed significant microenvironmental changes around the Trp residue of HSA consequent to the complex formation. Use of site-specific marker li...Continue Reading

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Citations

Apr 26, 2016·Journal of Biomolecular Structure & Dynamics·Laxmi N JattinagoudarShivamurti A Chimatadar
Aug 24, 2016·Journal of Biomolecular Structure & Dynamics·Atmanand M BagojiSharanappa T Nandibewoor
Oct 22, 2016·Journal of Biomolecular Structure & Dynamics·Girish G ArigaShivamurti A Chimatadar
Nov 29, 2016·Journal of Biomolecular Structure & Dynamics·Ida Syazwani M AffandiSaad Tayyab
Sep 16, 2017·Journal of Biomolecular Structure & Dynamics·Nuriye AkbayElmas Gökoğlu
Jul 27, 2018·Journal of Biomolecular Structure & Dynamics·Mohd Faizan SiddiquiBilqees Bano
Mar 7, 2020·Journal of Biomolecular Structure & Dynamics·Shiwani RanaKalyan Sundar Ghosh
May 26, 2020·Journal of Biomolecular Structure & Dynamics·Mohd AmirSaleem Javed
Dec 19, 2020·International Journal of Biological Macromolecules·Faizan Abul QaisFohad Mabood Husain

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Methods Mentioned

BETA
fluorescence spectroscopy
Fluorescence
X-ray

Software Mentioned

MMFF94
LigPlot + diagram
AutoDock
LigPlot
OriginPro
Avogadro
AutoDockTools

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