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Certification

  • Base you decision-making on a scientific report approved by experts

  • Pursue or abandon hypotheses based on well-founded recommendations

  • Give everybody access to the same key data in the beginning of a project

 
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Speed-up

  • Save time looking, retrieving and analyzing the relevant data

  • Start working right away on already organized and formatted data

 
Photo by {artist}/{collectionName} / Getty Images
 

Reports

TARGET VALIDATION

STRUCTURAL TARGET ASSESSMENT

LEAD GENERATION

ADVERSE EFFECT ELUCIDATION

DRUG REPOSITIONING

 





Target Validation

 
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Global overview

All relevant information about the target and the validation models are summarized in one report. The content emphasizes on druggability, target assays and tool compounds. 

 
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Starting points

The report provides a list of actionable starting-points that allow you to begin the target validation immediately: target assays, tool compounds etc.

 
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Potential

The potential of the drug discovery project is estimated through extended druggability analysis and market analysis.

 
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Difficulty

The difficulty of the project is estimated through thorough analysis of the binding site, putative off-targets and selectivity problems. Risks linked to natural variations and mutations are systematically checked.

 
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Target Validation - Report content

1. Gene expression

  • Target summery (Gene, Gene products, Protein)
  • Gene expression data (cell lines, tissue)

2. Gene-disease association

  • Mutations linked to disease
  • Disease associations (text-mining)
  • Gene expression in disease (down/up regulation)

3. Druggability

  • Drugs and clinical candidates for the target and the target family
  • Druggable pockets and protein binding sites
  • Selectivity assessment (isoforms, assay data, structural homologs)
  • Risk for resistance (natural variations, mutations)
  • Protein structures (resolved domains, structural homologs)
  • Binding pocket comparison with animal homologs (in vivo models)
  • Putative off-targets
  • Links to toxicity

4. Target validation models

  • Target validation models (Gene knockout, knockdown, silencing or deletion, in vivo models, pharmacological interventions)

5. Assay data

  • Cell based assays for the target and the target family

6. Ligand data

  • Natural substrates and co-factors
  • Drugs and clinical candidates
  • Historical view of developed compounds
  • Compounds involved in target assays (in vivo, in vitro)
  • Known and potential tool compounds
 
 





Structural Target Assessment

 
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Global overview

All structural knowledge linked to the target is summarized in one report. The content covers public 3D structures and homology models, co-crystalized small molecules and protein partners, homolog structures, druggable pockets and putative off-targets.

 
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Time-saver

Save time preparing the data and get right to work! Preformated structure files are delivered with the report where all target structures are superimposed on the druggable pocket (if existing) and all small molecules are gathered in a single table.

 
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Hidden treasures

New information on small compounds and binding interactions can be brought to light when exploring the structures of close target homologs and structurally similar pockets.

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Lead generation

 
known compounds

Exhaustive list of known compounds

All small compounds known to bind to your target are gathered in one unified list. The content is based on structural data bases, assay data bases and text-mining of the litterature.

 
lead compound

Generation and evaluation of new ideas

New ideas for a lead compound are generated through search and analysis of compounds that bind to other structurally similar pockets. The potential of the compounds are then evaluated by docking it into the principal target.

lead idea generation





Adverse Effect Elucidation

 
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Identification of putative off-targets

Putative off-targets are identified through binding pocket similarity and ligand similarity.

 
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Link to adverse drug effect

Gene-disease association and pathway data are used to link the putative off-targets to the observed drug reaction.

adverse drug reaction





Drug Repositioning

 
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Identification of new targets

New targets are identified through binding pocket similarity and ligand similarity analysis. The potential targets are then evaluated by docking studies.

 
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A potential therapeutic target

Their potential of each identified drug target is investigated through literature search.

 
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New market

Compounds coming from the animal health or agricultural industry can be re-positioned toward an human target.

 
drug repurposing