Biochemical and computational insights of adenosine deaminase inhibition by Epigallocatechin gallate

[Display omitted] •Adenosine deaminase inhibitory activity of Epigallocatechin gallate is evaluated.•Inhibition assay indicated that the compound significantly reduced ADA activity.•As per ITC data, the binding free energy is −6.84 Kcal mol−1.•The binding is also confirmed by fluorescence spectromet...

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Veröffentlicht in:	Computational biology and chemistry 2019-12, Vol.83, p.107111-107111, Article 107111
Hauptverfasser:	K.G, Arun, C.S, Sharanya, J, Abhithaj, C, Sadasivan
Format:	Artikel
Sprache:	eng
Schlagworte:	Adenosine deaminase Adenosine Deaminase - metabolism Adenosine Deaminase Inhibitors - chemistry Adenosine Deaminase Inhibitors - pharmacology Calorimetry Camellia sinensis - chemistry Catechin - analogs & derivatives Catechin - chemistry Catechin - pharmacology Epigallocatechin gallate Fluorescence spectroscopy Humans ITC Molecular Docking Simulation Molecular dynamics Molecular Dynamics Simulation Spectrometry, Fluorescence Thermodynamics
Online-Zugang:	Volltext
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