Bioinformatic servers hosted by the IPMC Institute
  • Structural Bioinformatic server
  • HELIQUEST: screen sequences with specific α-helical properties
  • Cheminformatic server
    e-LEA3D (New HTML link: http://chemoinfo.ipmc.cnrs.fr):
  • Database of the FDA approved drugs
  • Tools for the ligand-based and structure-based screening of molecules

Links and descriptions are given below:
 
This server provides some cheminformatic tools.
  • e-Drug3D. Search the FDA approved drugs either by keyword or by substructure. Drugs have been analysed in terms of commercial fragments (useful in fragment-based drug discovery).

  • Drug design or Screen. Invent ideas of ligand (scaffold-hopping) by the de novo drug design program LEA3D or screen and dock small molecules into the structure of a target protein. Here, we use fragments as building blocks used in the de novo drug design program.

  • Combinatorial library design. Build combinatorial library of molecules. Here, we use fragments as user R-groups to connect a user-defined scaffold.

    • Reference: Douguet D., e-LEA3D: a computational-aided drug design web server, Nucleic Acids Research, 2010 (doi:10.1093/nar/gkq322)

    Contact: douguet@ipmc.cnrs.fr
     
    HeliQuest calculates from an α-helix sequence its physicochemical properties and amino acid composition and uses the results to screen any databank in order to identify protein segments possessing similar features.

    The server is divided into 2 interconnected modules: the sequence analysis module and the screening module.
    In addition, the mutation module, (available from the sequence analysis module), allows user to mutate helices manually or automatically by genetic algorithm to create analogues with specific properties.
  • Analysis: This module is dedicated to characterizing helices known by the user. It determines properties as hydrophobicity, hydrophobic moment, z and amino acid composition. 
  • Screening: This module allows user to screen large databases in order to find sequences that have the general physico-chemical features of a target sequence.

    • Reference: Gautier R., Douguet D., Antonny B. and Drin G. HELIQUEST: a web server to screen sequences with specific α-helical properties. Bioinformatics. 2008 Sep 15;24(18):2101-2.

    Contact: Romain Gautier