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

Structure-based generation of viable leads from small combinatorial libraries.

Ellen R Laird1, James F Blake

  • 1Array BioPharma Inc, 3200 Walnut Street, Boulder, CO 80301, USA. ellen.laird@arraybiopharma.com

Current Opinion in Drug Discovery & Development
|June 26, 2004
PubMed
Summary
This summary is machine-generated.

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

Design of Potent Menin-KMT2A Interaction Inhibitors with Improved <i>In Vitro</i> ADME Properties and Reduced hERG Affinity.

ACS medicinal chemistry letters·2025
Same author

Discovery of Pyrazolopyrazines as Selective, Potent, and Mutant-Active MET Inhibitors with Intracranial Efficacy.

Journal of medicinal chemistry·2024
Same author

Identification of the Clinical Candidate <b>PF-07284890</b> (<b>ARRY-461</b>), a Highly Potent and Brain Penetrant BRAF Inhibitor for the Treatment of Cancer.

Journal of medicinal chemistry·2024
Same author

Discovery of Potent and Selective Covalent Inhibitors of HER2<sup>WT</sup> and HER2<sup>YVMA</sup>.

Journal of medicinal chemistry·2024
Same author

Discovery of 5-Azaquinoxaline Derivatives as Potent and Orally Bioavailable Allosteric SHP2 Inhibitors.

ACS medicinal chemistry letters·2023
Same author

SHP2 Inhibition Sensitizes Diverse Oncogene-Addicted Solid Tumors to Re-treatment with Targeted Therapy.

Cancer discovery·2023
Same journal

Microreactors for continuous processing – How close to commercial utility?

Current opinion in drug discovery & development·2010
Same journal

Synthesis of polyketide natural products and analogs as promising anticancer agents.

Current opinion in drug discovery & development·2010
Same journal

Enantioselective synthesis of substituted oxindoles and spirooxindoles with applications in drug discovery.

Current opinion in drug discovery & development·2010
Same journal

Eliminating pharmaceutical impurities: Recent advances in detection techniques.

Current opinion in drug discovery & development·2010
Same journal

Stereoselective heterocycle synthesis through oxidative carbon-hydrogen bond activation.

Current opinion in drug discovery & development·2010
Same journal

Catalysis in aqueous media for the synthesis of drug-like molecules.

Current opinion in drug discovery & development·2010
See all related articles

Structure-aided design and virtual screening accelerate drug discovery. Focused libraries, informed by X-ray crystallography, increase the chances of finding active compounds for therapeutic targets.

Area of Science:

  • Medicinal Chemistry
  • Structural Biology
  • Drug Discovery

Background:

  • Virtual screening using X-ray crystal structures is standard in lead generation.
  • Structure-based drug design aids in identifying potential drug candidates.
  • Parallel synthesis enables rapid generation of compound libraries.

Purpose of the Study:

  • To review recent advancements in structure-aided design for focused combinatorial libraries.
  • To highlight the integration of X-ray crystallography in drug discovery pipelines.
  • To showcase the development of targeted libraries for specific therapeutic applications.

Main Methods:

  • Structure-based design principles applied to library synthesis.
  • Utilizing X-ray crystallographic data for virtual screening.

Related Experiment Videos

  • Design and synthesis of small, focused compound libraries.

    • Main Results:

    • Demonstrated convergence of parallel synthesis and structure-aided design.
    • Successful application of virtual screening to inform library composition.
    • Identification of focused libraries with high potential for target activity.

    Conclusions:

    • Structure-aided design significantly enhances the efficiency of drug discovery.
    • X-ray crystallography is a critical tool for designing targeted compound libraries.
    • Focused libraries improve the likelihood of identifying active compounds for therapeutic targets.