Author: Ismail Ijjaali


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. …

ChemAxon's Chemical Fingerprints-Based Clustering to Assess AurSCOPE Databases Chemical Diversity

Jun 8, 2006 - Presentation
Among the knowledge databases developed at Aureus Pharma, AurSCOPE Kinase and AurSCOPE Ion Channels are focused on drugs described as kinase inhibitors or ion channel blockers, openers or…

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…