Protein-ligand binding affinity determination by the waterLOGSY method: An optimised approach considering ligand rebinding

被引:0
|
作者
Renjie Huang
Arnaud Bonnichon
Timothy D. W. Claridge
Ivanhoe K. H. Leung
机构
[1] School of Chemical Sciences,Department of Chemistry
[2] The University of Auckland,undefined
[3] Private Bag 92019,undefined
[4] University of Oxford,undefined
[5] Chemistry Research Laboratory,undefined
[6] Université D’Auvergne,undefined
[7] 49 Boulevard François-Mitterrand,undefined
[8] CS 60032,undefined
来源
关键词
D O I
暂无
中图分类号
学科分类号
摘要
WaterLOGSY is a popular ligand-observed NMR technique to screen for protein-ligand interactions, yet when applied to measure dissociation constants (KD) through ligand titration, the results were found to be strongly dependent on sample conditions. Herein, we show that accurate KDs can be obtained by waterLOGSY with optimised experimental setup.
引用
收藏
相关论文
共 50 条
  • [31] Iterative Knowledge-Based Scoring Function for Protein-Ligand Interactions by Considering Binding Affinity Information
    Zhao, Xuejun
    Li, Hao
    Zhang, Keqiong
    Huang, Sheng-You
    JOURNAL OF PHYSICAL CHEMISTRY B, 2023, 127 (42): : 9021 - 9034
  • [32] A New Computational Method for Protein-Ligand Binding Thermodynamics
    Chong, Song-Ho
    Ham, Sihyun
    BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 2019, 40 (02): : 180 - 185
  • [33] Method for quantitative protein-ligand affinity measurements in compound mixtures
    Annis, D. Allen
    Shipps, Gerald W., Jr.
    Deng, Yongqi
    Popovici-Mueller, Janeta
    Siddiqui, M. Arshad
    Curran, Patrick J.
    Gowen, Matthew
    Windsor, William T.
    ANALYTICAL CHEMISTRY, 2007, 79 (12) : 4538 - 4542
  • [34] Determination of protein-ligand binding affinity by NMR: observations from serum albumin model systems
    Fielding, L
    Rutherford, S
    Fletcher, D
    MAGNETIC RESONANCE IN CHEMISTRY, 2005, 43 (06) : 463 - 470
  • [35] Determination of protein-ligand binding affinity by NMR: observations from serum albumin model systems
    Rutherford, S.
    Fielding, L.
    Fletcher, D.
    JOURNAL OF PHARMACY AND PHARMACOLOGY, 2004, 56 : S3 - S3
  • [36] The Movable Type Method Applied to Protein-Ligand Binding
    Zheng, Zheng
    Ucisik, Melek N.
    Merz, Kenneth M.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2013, 9 (12) : 5526 - 5538
  • [37] Surface-based multimodal protein-ligand binding affinity prediction
    Xu, Shiyu
    Shen, Lian
    Zhang, Menglong
    Jiang, Changzhi
    Zhang, Xinyi
    Xu, Yanni
    Liu, Juan
    Liu, Xiangrong
    BIOINFORMATICS, 2024, 40 (07)
  • [38] Deep Learning in Drug Design: Protein-Ligand Binding Affinity Prediction
    Rezaei, Mohammad A.
    Li, Yanjun
    Wu, Dapeng
    Li, Xiaolin
    Li, Chenglong
    IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS, 2022, 19 (01) : 407 - 417
  • [39] Protein-ligand binding affinity prediction based on profiles of intermolecular contacts
    Wang, Debby D.
    Chan, Moon-Tong
    COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, 2022, 20 : 1088 - 1096
  • [40] Ensemble of local and global information for Protein-Ligand Binding Affinity Prediction
    Li, Gaili
    Yuan, Yongna
    Zhang, Ruisheng
    COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2023, 107