Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

NMR structure-based drug design

S W Fesik1

  • 1Pharmaceutical Discovery Division, Abbott Laboratories, Abbott Park, Il 60064.

Journal of Biomolecular NMR
|May 1, 1993
PubMed
Summary
This summary is machine-generated.

Nuclear Magnetic Resonance (NMR) rapidly determines ligand conformations and receptor contacts. Advanced NMR techniques yield 3D structures for drug design, aided by computational tools.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Myeloid cell leukemia-1 is an important apoptotic survival factor in triple-negative breast cancer.

Cell death and differentiation·2015
Same author

Tumor vasculature is a key determinant for the efficiency of nanoparticle-mediated siRNA delivery.

Gene therapy·2011
Same author

'Seed' analysis of off-target siRNAs reveals an essential role of Mcl-1 in resistance to the small-molecule Bcl-2/Bcl-XL inhibitor ABT-737.

Oncogene·2006
Same author

RNAi-based screening of the human kinome identifies Akt-cooperating kinases: a new approach to designing efficacious multitargeted kinase inhibitors.

Oncogene·2005
Same author

Structural biology. Controlling the caspases.

Science (New York, N.Y.)·2001
Same author

Rational design of diflunisal analogues with reduced affinity for human serum albumin.

Journal of the American Chemical Society·2001
Same journal

pyTRACTnmr: an open source python package for analyzing [<sup>15</sup>N, <sup>1</sup>H]-TRACT experiments.

Journal of biomolecular NMR·2026
Same journal

RelCalc: symbolic evaluation of BWR theory relaxation rates in python, applications to TROSY effects in AX[Formula: see text] spin systems.

Journal of biomolecular NMR·2026
Same journal

Solution NMR study of the titin I-band IgI domain I82 shows unusual conformational dynamics.

Journal of biomolecular NMR·2026
Same journal

Methyl-specific NMR of therapeutic antibodies: cost-effective isotopic labeling strategies in CHO cells for high-resolution structural characterization.

Journal of biomolecular NMR·2026
Same journal

AMIGO - Guided assignment of <sup>13</sup>C-methyl labelled proteins.

Journal of biomolecular NMR·2026
Same journal

Super-Resolution solid-state NMR Spectroscopy.

Journal of biomolecular NMR·2026
See all related articles

Area of Science:

  • Biochemistry and Structural Biology
  • Medicinal Chemistry
  • Computational Chemistry

Background:

  • Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful technique for structural biology.
  • Understanding ligand-receptor interactions is crucial for drug discovery.
  • Recent advancements in NMR enable high-resolution structural determination.

Purpose of the Study:

  • To highlight the utility of NMR in characterizing receptor-bound ligands.
  • To demonstrate the application of advanced NMR for obtaining 3D structures of receptors and complexes.
  • To discuss the integration of NMR data with computational methods for pharmaceutical agent design.

Main Methods:

  • Utilizing NMR to determine ligand conformations and receptor contact points.

Related Experiment Videos

  • Employing heteronuclear multi-dimensional NMR techniques for complete 3D structure elucidation.
  • Integrating NMR-derived structural data with computational modeling tools.

    • Main Results:

    • NMR effectively identifies ligand conformations and binding interfaces.
    • Heteronuclear multi-dimensional NMR provides detailed 3D structural insights into receptor-ligand complexes.
    • The study discusses approaches for leveraging this structural information.

    Conclusions:

    • NMR is instrumental in elucidating receptor-ligand complex structures.
    • NMR-derived structural data significantly aids in the rational design of novel pharmaceutical agents.
    • Computational tools enhance the application of NMR data in drug design.