Using NMR for ligand discovery and optimization

被引:39
|
作者
Villar, HO [1 ]
Yan, JL [1 ]
Hansen, MR [1 ]
机构
[1] Triad Therapeut, San Diego, CA 92121 USA
关键词
D O I
10.1016/j.cbpa.2004.05.002
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Several recent technology-driven advances in the area of NMR have rekindled an interest in the application of the technology to problems in drug discovery and development. A unique aspect of NMR is that it has applicability in broadly different areas of the drug discovery and optimization processes NMR techniques for screening aimed at the discovery of novel ligands or low molecular weight structures for fragment based build up procedures are being applied commonly in the industry. Application of NMR in structure-guided drug design and metabonomics are also becoming routine. We present an overview of some of the most recent NMR developments in these areas.
引用
收藏
页码:387 / 391
页数:5
相关论文
共 50 条
  • [31] Determination of ligand binding modes in weak protein–ligand complexes using sparse NMR data
    Biswaranjan Mohanty
    Martin L. Williams
    Bradley C. Doak
    Mansha Vazirani
    Olga Ilyichova
    Geqing Wang
    Wolfgang Bermel
    Jamie S. Simpson
    David K. Chalmers
    Glenn F. King
    Mehdi Mobli
    Martin J. Scanlon
    Journal of Biomolecular NMR, 2016, 66 : 195 - 208
  • [32] Automated Structure Verification by NMR, Part 1: Lead Optimization Support in Drug Discovery
    Keyes, Philip
    Messinger, Michael
    Hernandez, Gonzalo
    AMERICAN LABORATORY, 2012, 44 (01) : 26 - 29
  • [33] Unordered rule discovery using Ant Colony Optimization
    Salabat Khan
    Abdul Rauf Baig
    Armughan Ali
    Bilal Haider
    Farman Ali Khan
    Mehr Yahya Durrani
    Muhammad Ishtiaq
    Science China Information Sciences, 2014, 57 : 1 - 15
  • [34] Discovery and optimization of heterogeneous catalysts by using combinatorial chemistry
    Senkan, SM
    Ozturk, S
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1999, 38 (06) : 791 - 795
  • [35] Unordered rule discovery using Ant Colony Optimization
    KHAN Salabat
    BAIG Abdul Rauf
    ALI Armughan
    HAIDER Bilal
    KHAN Farman Ali
    DURRANI Mehr Yahya
    ISHTIAQ Muhammad
    Science China(Information Sciences), 2014, 57 (09) : 189 - 203
  • [36] Unordered rule discovery using Ant Colony Optimization
    Khan, Salabat
    Baig, Abdul Rauf
    Ali, Armughan
    Haider, Bilal
    Khan, Farman Ali
    Durrani, Mehr Yahya
    Ishtiaq, Muhammad
    SCIENCE CHINA-INFORMATION SCIENCES, 2014, 57 (09) : 1 - 15
  • [37] Optimization of knowledge discovery process using domain knowledge
    Owrang, MM
    INTELLIGENT INFORMATION SYSTEMS, (IIS'97) PROCEEDINGS, 1997, : 428 - 433
  • [38] DNA motif discovery using chemical reaction optimization
    Saha, Sumit Kumar
    Islam, Md Rafiqul
    Hasan, Mredul
    EVOLUTIONARY INTELLIGENCE, 2021, 14 (04) : 1707 - 1726
  • [39] DNA motif discovery using chemical reaction optimization
    Sumit Kumar Saha
    Md. Rafiqul Islam
    Mredul Hasan
    Evolutionary Intelligence, 2021, 14 : 1707 - 1726
  • [40] A route discovery optimization scheme using GPS system
    Boukerche, A
    Sheetal, V
    Choe, MS
    35TH ANNUAL SIMULATION SYMPOSIUM, PROCEEDINGS, 2002, : 20 - 26