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Genostar 2009 Genostar Bioinformatics Solutions Connecting, completing and exploring biochemical and genomic data with Metabolic Pathway Builder ChemAxon's User Group Meeting, June 3-4th

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Page 1: Genostar 2009 Genostar Bioinformatics Solutions Connecting, completing and exploring biochemical and genomic data with Metabolic Pathway Builder ChemAxon's

Genostar 2009

Genostar Bioinformatics Solutions

Connecting, completing and exploring biochemical

and genomic data with Metabolic Pathway Builder

ChemAxon's User Group Meeting, June 3-4th

Page 2: Genostar 2009 Genostar Bioinformatics Solutions Connecting, completing and exploring biochemical and genomic data with Metabolic Pathway Builder ChemAxon's

Genostar 2009

Genostar: about us

Located in the heart of the French Alps, near Grenoble

Grenoble area• Top center for research in France, outside Paris

21,000 researchers200+ laboratories

Strong life sciences research• French National Institute for Research in Computer Science and

Control (INRIA)• Atomic Energy Research Center (CEA)• Institute for Structural Biology• European Molecular Biology Laboratory (EMBL)

Page 3: Genostar 2009 Genostar Bioinformatics Solutions Connecting, completing and exploring biochemical and genomic data with Metabolic Pathway Builder ChemAxon's

Genostar 2009

Genostar: about us

Genostar provides bioinformatics software, databases and analysis services for microbial research

Applications• Vaccine discovery and development• Drug discovery• Diagnostics• Agro-foods• Environment

Page 4: Genostar 2009 Genostar Bioinformatics Solutions Connecting, completing and exploring biochemical and genomic data with Metabolic Pathway Builder ChemAxon's

Genostar 2009

Our offer: software, data and services

Products Metabolic Pathway Builder suite

Perform genomic, proteic, and metabolic research with a comprehensive software suite

GenoAnnot / ProteoAnnot Perform comparative genomic and proteic sequence annotation and reannotation

PathwayExplorer Perform comparative genomic and differential metabolic analyses

MicroB Database Integrate, rigorously cross-checked genomic, proteic, biochemical and metabolic data

on about 800 organisms

KDB Explorer Explore, visualize and highlight the metabolic and non-metabolic pathways specific to your organism

PathwayExplorer GenoMirror Local mirror to interactively explore KEGG data while maintaining research confidentiality

Services We provide a full range of bioinformatics analysis services

Page 5: Genostar 2009 Genostar Bioinformatics Solutions Connecting, completing and exploring biochemical and genomic data with Metabolic Pathway Builder ChemAxon's

Genostar 2009

PathwayExplorer module

Draws on heterogeneous data into a powerful entity-relationship model

genomic (GenomeReviews, EMBL, Genbank),

proteic (Swiss-Prot),

classification (Enzyme, GO, NCBI taxonomy…)

biochemical (KEGG ligand),

metabolic (KEGG pathways),

expression data

Comparative genomics and metabolomics• Integrates proprietary and public methods: EC prediction,

pattern inference, homologies and syntons computations…• Interactive and specialized viewers

Marvin, Jchem BaseInteractively explore and visualize metabolic pathways

Compare your own data with our reference database

Page 6: Genostar 2009 Genostar Bioinformatics Solutions Connecting, completing and exploring biochemical and genomic data with Metabolic Pathway Builder ChemAxon's

Genostar 2009

PathwayExplorer and ChemAxon (1/4)

Run Chemaxon structural searche.g: search compounds that contain

benzoate substructure

Manage and display chemical compounds

with Marvin

Explore compoundsextracted from KEGG

ligand database

Page 7: Genostar 2009 Genostar Bioinformatics Solutions Connecting, completing and exploring biochemical and genomic data with Metabolic Pathway Builder ChemAxon's

Genostar 2009

PathwayExplorer and ChemAxon (2/4)

Find and display biochemical reactions that involve a

benzoate derived compound

Page 8: Genostar 2009 Genostar Bioinformatics Solutions Connecting, completing and exploring biochemical and genomic data with Metabolic Pathway Builder ChemAxon's

Genostar 2009

PathwayExplorer and ChemAxon (3/4)

Colorize reactions that involve benzoate derived compounds

Colorize catalyzed reactions Listeria Innocua Bacillus Subtilis

Page 9: Genostar 2009 Genostar Bioinformatics Solutions Connecting, completing and exploring biochemical and genomic data with Metabolic Pathway Builder ChemAxon's

Genostar 2009

PathwayExplorer and ChemAxon (4/4) Select a pathway in the KEGG map… … and explore its genomic organization

Listeria innocua Bacillus subtilis

Compare syntenic regions• 1 operon in Bacillus• 2 operons in Listeria

Page 10: Genostar 2009 Genostar Bioinformatics Solutions Connecting, completing and exploring biochemical and genomic data with Metabolic Pathway Builder ChemAxon's

Genostar 2009

Perspectives

Extend Metabolic Pathway Builder capacities further in the direction of cheminformaticsIncrease connections to external biochemical and chemical databases

(ChEBI and UniPathway, PubChem)

Integrate 3D facilities

(PDB, PubChem, MarvinSpace)

Implement structural analysis, predict molecular properties

(Calculator Plugins - Chemical Terms)

Extend partnerships to increase our capacity in drug discovery and molecular design

Page 11: Genostar 2009 Genostar Bioinformatics Solutions Connecting, completing and exploring biochemical and genomic data with Metabolic Pathway Builder ChemAxon's

Genostar 2009

PartnersContact

Pierre-Emmanuel [email protected]

+33 476 97 10 74

Sophie Huet [email protected]

+33 476 97 10 78

Adrienne [email protected]

Thank you

[email protected]