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

Structural e-bioinformatics and drug design.

A J M Carpy1, N Marchand-Geneste

  • 1Laboratoire de Physico- & Toxico-Chimie des Systèmes Naturels UMR 5472 CNRS, Université de Bordeaux 1 351, Cours de la Libération, 33405 Talence cedex, France. a.carpy@lptc.u-bordeaux1.fr

SAR and QSAR in Environmental Research
|March 4, 2006
PubMed
Summary

This review highlights essential web-based bioinformatics tools for structure-based drug design. It guides users through protein target characterization, modeling, structure optimization, and ligand docking processes.

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

Docking and QSAR comparative studies of polycyclic aromatic hydrocarbons and other procarcinogen interactions with cytochromes P450 1A1 and 1B1.

SAR and QSAR in environmental research·2011
Same author

Homology modelling of the Apis mellifera nicotinic acetylcholine receptor (nAChR) and docking of imidacloprid and fipronil insecticides and their metabolites.

SAR and QSAR in environmental research·2008
Same author

Decision trees versus support vector machine for classification of androgen receptor ligands.

SAR and QSAR in environmental research·2008
Same author

Endocrine disruption profile analysis of 11,416 chemicals from chemometrical tools.

SAR and QSAR in environmental research·2007
Same author

SAR and QSAR modeling of endocrine disruptors.

SAR and QSAR in environmental research·2006
Same author

Homology model of the rainbow trout estrogen receptor (rtERalpha) and docking of endocrine disrupting chemicals (EDCs).

SAR and QSAR in environmental research·2006

Area of Science:

  • Bioinformatics
  • Structural Biology
  • Drug Design

Background:

  • In silico drug design relies heavily on structural biology and bioinformatics.
  • Numerous free bioinformatics applications and web services are available.

Purpose of the Study:

  • To review essential web resources for structure-based drug design.
  • To present these resources in a logical workflow mirroring the drug design process.

Main Methods:

  • Literature review of publicly available bioinformatics tools and services.
  • Categorization of resources based on their utility in specific drug design stages.

Main Results:

  • Identification of key websites for protein target characterization.

Related Experiment Videos

  • Compilation of resources for protein modeling via sequence homology.
  • Listing of tools for protein structure optimization.
  • Directory of web services for small ligand docking into protein active sites.

    • Conclusions:

    • Web-based bioinformatics tools significantly aid structure-based drug design.
    • A structured approach using these tools facilitates efficient drug discovery.