Isothermal titration calorimetry for drug design: Precision of the enthalpy and binding constant measurements and comparison of the instruments

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Title:	Isothermal titration calorimetry for drug design: Precision of the enthalpy and binding constant measurements and comparison of the instruments
Authors:	陳文逸;Linkuvienė, Vaida;Krainer, Georg;Chen, Wen-Yih;Matulis, Daumantas
Contributors:	工學院化學工程與材料工程學系
Keywords:	Acetazolamide;binding capacity;Calorimeter;calorimetry;Calorimetry - methods;carbonate dehydratase;Carbonic anhydrase;Carbonic Anhydrase II - chemistry;Drug Design;drug interactions;drugs;Enthalpy;Humans;Isothermal titration calorimetry (ITC);Nitpic and Sedphat;Protein – ligand binding;statistical analysis;Thermodynamics;titration
Date:	2016-12-15
Issue Date:	2026-04-21 14:57:39 (UTC+8)
Publisher:	Academic Press Inc.;United States: Elsevier Inc
Abstract:	摘要： Isothermal titration calorimetry (ITC) is one of the most robust label- and immobilization-free techniques used to measure protein – small molecule interactions in drug design for the simultaneous determination of the binding affinity (ΔG) and the enthalpy (ΔH), both of which are important parameters for structure-thermodynamics correlations. It is important to evaluate the precision of the method and of various ITC instrument models by performing a single well-characterized reaction. The binding between carbonic anhydrase II and acetazolamide was measured by four ITC instruments – PEAQ-ITC, iTC200, VP-ITC, and MCS-ITC and the standard deviation of ΔG and ΔH was determined. Furthermore, the limit of an approach to reduce the protein concentration was studied for a high-affinity reaction (Kd = 0.3 nM), too tight to be measured by direct (non-displacement) ITC. Chemical validation of the enthalpy measurements is discussed. 其他題名： Anal Biochem 出版者： United States: Elsevier Inc 出版日期： 2016-12-15 出處： Analytical biochemistry, 2016-12, Vol.515, p.61-64 版權： 2016 Elsevier Inc. 版權： Copyright © 2016 Elsevier Inc. All rights reserved. 識別號： ISSN: 0003-2697 識別號： EISSN: 1096-0309 識別號： DOI: 10.1016/j.ab.2016.10.005 識別號： PMID: 27717855
Appears in Collections:	[Department of Chemical and Materials Engineering] journal & Dissertation

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