Resource Center - Portail Aureus

Application Datasheets

- DMPK Solutions

- AurPROFILER

- AurPASS

All application datasheets

Databases Datasheets

- AurSCOPE ADME DDI

- AurSCOPE GPCR

- AurSCOPE Ion Channel

- AurSCOPE Kinase

- AurSCOPE Nuclear Receptors

- AurSCOPE Protease

All databases datasheets

Whitepapers

- Streamlining In Silico Compound Profiling

- Using In Silico Compound Profiling to Boost drug discovery

- Knowledge Management-driven Drug Discovery

- In Silico Compound Profiling in a Drug Repositioning Strategy

All whitepapers

Posters

- AurSCOPE Kinase Knowledge Database: Higher Chemical Diversity for Robust Predictive Models

- DDI prediction after IV administration route of victim drug, parameters to be considered for risk assessment

- Can Fluorinated Molecules Influence Metabolism and Bioavailability of Drugs?

- From in silico Profiling to Drug Repurposing: Knowledge-based Strategy.

- Hsp90 Ligands Chemical Diversity of Known Molecules and Discovery of New Potential Hits by Virtual Screening

- Impact of Gut Metabolism on Prediction of Drug-Drug Interactions

- Impact of marker detection on in vitro in vivo extrapolation of CYPs induction Enzymatic activity versus mRNA

- Improved Strategies to Enrich Focused Libraries in Active Compounds Using Target-Oriented Databases.

- Knowledge-Based Drug Profiling for ADME Properties. A Cytochrome 2D6 Application

- Ligand selectivity on mutated human protein kinases. A literature knowledge-based approach.

- Mining a Global Literature Pharmacology Knowledgebase to Assess Drug Polypharmacology of Classical Chemical Scaffolds

- Molecular Properties-Based Functional Radars for GPCR ligands

- Predicting Transporters Mediated Drug Interactions based on the Mechanistic Static Approach

- Prediction of Drug-Drug interactions using AurSCOPE knowledge base from in vitro data

- Prediction of Drug-Drug Interactions Caused by Metabolism-Based Inhibition of CYPs using a Mechanistic Static Model

- Prediction of in vivo DDI involving UDP-glucuronosyltransferases

- Predictions of metabolic DDIs after Intravenous administration

- Recursive Partitioning for the Prediction of Cytochromes P450 2D6 and 1A2 Inhibition

- Scaling data from recombinant cytochromes to human liver microsomes

All posters

Scientific Publications

2011 - Metabolic-based drug-drug interactions prediction, recent approaches for risk assessment along drug development

2010 - Assessing the chemical diversity of an hsp90 database

2010 - Knowledge-based analysis of multi-potent G-protein coupled receptors ligands

2010 - In Vitro/In Vivo Correlation for Drug–Drug Interactions

2010 - Predictions of metabolic Drug-Drug Interactions after Intravenous administration

2010 - Prediction of in vivo drug-drug interactions involving UDP glucuronosyltranferase

2009 - Drug repositioning using in silico compound profiling

2008 - Boosted regression trees to predict blood brain barrier passage

2007 - Assessing potency of c-Jun N-terminal kinase 3 inhibitors

2007 - Assessing the Chemical and Biological Diversity of an Ion Channels Database

2007 - Ligand-Based Virtual Screening to Identify New T-Type Calcium Channel Blockers

2006 - In Silico Classification of hERG Channel Blockers

2006 - Recursive Partitioning for the Prediction of Cytochromes P450 2D6 and 1A2 Inhibition

2006 - GPR55 as a New Cannabinoid Receptor

All scientific publications

Release Notes

All release notes
You do not have the rights required to access some contents. Please suscribe or log in to view more resources.

Webinars

- Predicting Potential Adverse Drug Reactions Caused by Off-Targets
- Revisiting Food-Drug interactions using the ADME/DDI database
- Predicting Pharmacology and Safety Profiles with AurPASS
- Predicting Drug Candidates Safety

Training Guides

- Training Guide for ADME/DDI

- Training Guide for GPCR

- Training Guide for Ion Channel

- Training Guide for Kinase

- Training Guide for Nuclear Receptor

- Training Guide for Protease

All training guides

Application Notes

- Bridging Chemical and Biological Realms

- Chemical Diversity Assessment of AurSCOPE Knowledgebases

- Computer-Aided Prediction of Interactions between Organic Compounds and Ion Channels

- Exploration of Pharmacological, Metabolism and hERG Profiles of Antipsychotic Drugs

- Ligand-based virtual screening to identify new T-type calcium channel blockers

- QSAR modeling of ErbB1 inhibitors

- Rapid visualization using AurTABLE application

- Revisiting traditional medicinal chemistry scaffolds by mining AurSCOPE

- Triptans and Setrons, popular 5-HT ligands with a wide variety of in vitro biological results

- Use of AurSCOPE hERG knowledgebase and Microsoft data mining tools

- Use of AurTAG to Fingerprint Agonist Binding Pocket of the Human Cholecytokinin-1 Receptor

All application notes

Conferences Presentations

- A Knowledge-Based Scheme for Building Efficient ADME-Tox Predictive Tools

- A knowledge-Based Strategy to improve Ion Channel Drug Discovery

- Applications of an ADME Knowledge Database for ADMET Predictive Models

- Annotated Knowledgebases: Valuable resource for Virtual Screening and Building Predictive Models

All conferences presentations

Welcome!