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).
Reference: Douguet D., e-LEA3D: a computational-aided drug design web server, Nucleic Acids Research, 2010 (doi:10.1093/nar/gkq322)
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.
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
The server is divided into 2 interconnected modules: the sequence
analysis module and the screening
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.
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
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
Contact: Romain Gautier