Author: François Petitet

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Assessment of GPCR ligands Diversity Using Molecular Properties-Based Functional Radars and Fragment Analysis

May 8, 2008 - Poster
By collecting chemical structures of ligands, associated targets with all reported in vitro and in vivo pharmacological responses from the literature, we have built a GPCR knowledgebase. …
aureus

Improved Virtual Screening Strategies and Enrichment of Focused Libraries in Active Compounds Using Target-Oriented Databases

May 20, 2005 - Presentation
Aureus Pharma has constituted and maintains a unique and comprehensive database regrouping all the data already published on GPCR and Ion channel medicinal chemistry and pharmacology. Che…

Assessing potency of c-Jun N-terminal kinase 3 (JNK3) inhibitors using 2D molecular descriptors and binary QSAR methodology

Mar 24, 2007 - Publication
JNK3 signaling pathway is gaining interest due to its involvement in many neurological disorders. The purpose of this study was to explore for the first time the use of a large and divers…

Assessing the chemical and biological diversity of an ion channels knowledge database

Sep 28, 2007 - Publication
The aim of the present work is to assess the chemical and biological diversity of ligands reported in scientific articles or patents to be active against ion channels targets. A specific …

Recursive Partitioning for the Prediction of Cytochromes P450 2D6 and 1A2 Inhibition:? Importance of the Quality of the Dataset

Sep 16, 2006 - Publication
The purpose of this study was to explore the use of detailed biological data in combination with a statistical learning method for predicting the CYP1A2 and CYP2D6 inhibition. Data were e…