Application of ITC-Based Characterization of Thermodynamic and Kinetic Association of Ligands With Proteins in Drug Design

doi:10.3389/fphar.2018.01133

CORC > 上海药物研究所 > 中国科学院上海药物研究所 > 药物发现与设计中心

	Application of ITC-Based Characterization of Thermodynamic and Kinetic Association of Ligands With Proteins in Drug Design
	Su, Haixia 1,2; Xu, Yechun1,2
刊名	FRONTIERS IN PHARMACOLOGY
	2018-10-11
卷号	9
关键词	ITC thermodynamics kinetics protein-ligand recognition drug design
ISSN号	1663-9812
DOI	10.3389/fphar.2018.01133
文献子类	Review
英文摘要	A comprehensive characterization of the thermodynamic and kinetic profiling of ligands binding to a given target protein is crucial for the hit selection as well as the hit-to-lead-to-drug evolution. Isothermal titration calorimetry (ITC), widely known as an invaluable tool to measure the thermodynamic data, has recently found its way to determine the binding kinetics too. The extensive application of ITC in measurement of both thermodynamic and kinetic data manifests unique roles of ITC in drug discovery and development. This mini-review concentrates on elaborating how to gain the thermodynamic and kinetic data using ITC, highlighting the importance of these data in lead discovery and optimization, and intends to provide an overview of the technical and conceptual advances that offer unprecedented access to protein-ligand recognition by ITC measurement.
资助项目	National Key R&D Program of China[2016YFA0502301] ; National Key R&D Program of China[2017YFB0202604] ; National Natural Science Foundation of China[81661148046]
WOS关键词	ISOTHERMAL TITRATION CALORIMETRY ; RNA-MODIFYING ENZYME ; BINDING THERMODYNAMICS ; COMPUTATIONAL ANALYSIS ; MOLECULAR-DYNAMICS ; RATIONAL DESIGN ; INHIBITORS ; PDE5 ; DISCOVERY ; THERMOLYSIN
WOS研究方向	Pharmacology & Pharmacy
语种	英语
出版者	FRONTIERS MEDIA SA
WOS记录号	WOS:000447016400001
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/279534]
专题	药物发现与设计中心
通讯作者	Xu, Yechun
作者单位	1.Chinese Acad Sci, CAS Key Lab Receptor Res, Drug Discovery & Design Ctr, Shanghai Inst Mat Med, Shanghai, Peoples R China; 2.Univ Chinese Acad Sci, Sch Pharm, Beijing, Peoples R China
推荐引用方式 GB/T 7714	Su, Haixia,Xu, Yechun. Application of ITC-Based Characterization of Thermodynamic and Kinetic Association of Ligands With Proteins in Drug Design[J]. FRONTIERS IN PHARMACOLOGY,2018,9.
APA	Su, Haixia,&Xu, Yechun.(2018).Application of ITC-Based Characterization of Thermodynamic and Kinetic Association of Ligands With Proteins in Drug Design.FRONTIERS IN PHARMACOLOGY,9.
MLA	Su, Haixia,et al."Application of ITC-Based Characterization of Thermodynamic and Kinetic Association of Ligands With Proteins in Drug Design".FRONTIERS IN PHARMACOLOGY 9(2018).