Skip Navigation



Nucleic Acids Research Advance Access published online on May 8, 2009
Nucleic Acids Research, doi:10.1093/nar/gkp324
This Article
Right arrow Full Text Freely available
Right arrow Print PDF (2178K) Freely available
Right arrow Screen PDF (320K) Freely available
Right arrowOA All Versions of this Article:
37/suppl_2/W504    most recent
gkp324v1
Right arrow Alert me when this article is cited
Right arrow Alert me if a correction is posted
Services
Right arrow Email this article to a friend
Right arrow Similar articles in this journal
Right arrow Similar articles in PubMed
Right arrow Alert me to new issues of the journal
Right arrow Add to My Personal Archive
Right arrow Download to citation manager
Right arrow Commercial Re-use Guidelines
for Open Access NAR Content
Google Scholar
Right arrow Articles by Sperandio, O.
Right arrow Articles by Tuffery, P.
Right arrow Search for Related Content
PubMed
Right arrow PubMed Citation
Right arrow Articles by Sperandio, O.
Right arrow Articles by Tuffery, P.
Social Bookmarking
Add to CiteULike   Add to Connotea   Add to Del.icio.us  
What's this?

© 2009
The Author(s) This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/2.0/uk/) which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.

Web Server Issue

wwLigCSRre: a 3D ligand-based server for hit identification and optimization

O. Sperandio1,2, M. Petitjean3 and P. Tuffery1,4,*

1MTi, INSERM UMR-S973, 2CDithem, Université Paris Diderot - Paris 7, F75013, Paris, 3CEA/DSV/iBiTec-S/SB2SM (CNRS URA 2096), Gif-sur-Yvette and 4RPBS, Université Paris Diderot-Paris 7, F75013, Paris, France

*To whom correspondence should be addressed. Tel: +331 57 27 83 74; Fax: +331 57 27 83 72; Email: pierre.tuffery{at}univ-paris-diderot.fr

Received January 30, 2009. Revised April 8, 2009. Accepted April 19, 2009.

The wwLigCSRre web server performs ligand-based screening using a 3D molecular similarity engine. Its aim is to provide an online versatile facility to assist the exploration of the chemical similarity of families of compounds, or to propose some scaffold hopping from a query compound. The service allows the user to screen several chemically diversified focused banks, such as Kinase-, CNS-, GPCR-, Ion-channel-, Antibacterial-, Anticancer- and Analgesic-focused libraries. The server also provides the possibility to screen the DrugBank and DSSTOX/Carcinogenic compounds databases. User banks can also been downloaded. The 3D similarity search combines both geometrical (3D) and physicochemical information. Starting from one 3D ligand molecule as query, the screening of such databases can lead to unraveled compound scaffold as hits or help to optimize previously identified hit molecules in a SAR (Structure activity relationship) project. wwLigCSRre can be accessed at http://bioserv.rpbs.univ-paris-diderot.fr/wwLigCSRre.html.


Add to CiteULike CiteULike   Add to Connotea Connotea   Add to Del.icio.us Del.icio.us    What's this?




Disclaimer: Please note that abstracts for content published before 1996 were created through digital scanning and may therefore not exactly replicate the text of the original print issues. All efforts have been made to ensure accuracy, but the Publisher will not be held responsible for any remaining inaccuracies. If you require any further clarification, please contact our Customer Services Department.