NMR screening and studies of target - ligand interactions

被引:8
|
作者
Polshakov, Vladimir I. [1 ]
Batuev, Evgeniy A. [2 ]
Mantsyzov, Alexey B. [1 ]
机构
[1] Lomonosov Moscow State Univ, Fac Fundamental Med, Lab Magnet Tomog & Spect, Lomonosovsky Prosp 27,Stroenie 1, Moscow 119991, Russia
[2] Lomonosov Moscow State Univ, Fac Fundamental Med, Lomonosovsky Prosp 27,Stroenie 1, Moscow 119991, Russia
基金
俄罗斯科学基金会;
关键词
CASEI DIHYDROFOLATE-REDUCTASE; TRANSFER DIFFERENCE NMR; PARAMAGNETIC RELAXATION ENHANCEMENT; MAPPING STRUCTURAL RELATIONSHIPS; X-RAY CRYSTALLOGRAPHY; DRUG DISCOVERY; STD-NMR; LEAD GENERATION; DNA APTAMER; MEMBRANE-PROTEINS;
D O I
10.1070/RCR4836
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Nuclear magnetic resonance (NMR) spectroscopy is one of the leading biophysical methods used in the search for and design of physiologically active compounds considered as potential drugs. The review concerns modern NMR techniques used to study the binding of low-molecular-mass compounds to biomacromolecular targets. The most promising methods of NMR screening and strategies for rational lead design are discussed. They were used to design drugs that have been approved for the use in medical practice or are in the final stages of clinical trials. Examples are given of the application of the fragment-based drug design and NMR screening techniques to the design of novel drugs. The bibliography includes 252 references.
引用
收藏
页码:59 / 98
页数:40
相关论文
共 50 条
  • [41] Network Variants for Analyzing Target-Ligand Interactions
    Hu, Ye
    Bajorath, Juergen
    FRONTIERS IN MOLECULAR DESIGN AND CHEMIAL INFORMATION SCIENCE - HERMAN SKOLNIK AWARD SYMPOSIUM 2015: JURGEN BAJORATH, 2016, 1222 : 35 - 51
  • [42] Target-ligand interactions: Next generation modeling
    Duca, Jose
    Pearlstein, Robert
    McKay, Daniel
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 245
  • [43] HPPD: Ligand- and Target-Based Virtual Screening on a Herbicide Target
    Lopez-Ramos, Miriam
    Perruccio, Francesca
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2010, 50 (05) : 801 - 814
  • [44] Protein-Ligand Interactions with the Dianthus Screening Platform
    Freitag-Pohl, Stefanie
    Gasparikova, Dorota
    Butler, Abbey M.
    Hunter, Charlotte E.
    Sowerby, Kate V.
    Pohl, Ehmke
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2024, 80
  • [45] Virtual screening based on protein-ligand interactions
    Hirayama, Noriaki
    YAKUGAKU ZASSHI-JOURNAL OF THE PHARMACEUTICAL SOCIETY OF JAPAN, 2007, 127 (01): : 101 - 102
  • [46] Screening of protein-ligand interactions by affinity chromatography
    García, CD
    Holman, SC
    Henry, CS
    Wilson, WW
    BIOTECHNOLOGY PROGRESS, 2003, 19 (02) : 575 - 579
  • [47] Novel NMR methods in studies of target structures
    Annila, A
    EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2003, 19 : S11 - S11
  • [48] Probing the binding entropy of ligand-protein interactions by NMR
    Homans, SW
    CHEMBIOCHEM, 2005, 6 (09) : 1585 - +
  • [49] NMR-based analysis of protein-ligand interactions
    Cala, Olivier
    Guilliere, Florence
    Krimm, Isabelle
    ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 2014, 406 (04) : 943 - 956
  • [50] Trimethylsilyl tag for probing protein-ligand interactions by NMR
    Becker, Walter
    Adams, Luke A.
    Graham, Bim
    Wagner, Gabriel E.
    Zangger, Klaus
    Otting, Gottfried
    Nitsche, Christoph
    JOURNAL OF BIOMOLECULAR NMR, 2018, 70 (04) : 211 - 218