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Certification

  • Base your decision making on a scientific report approved by experts

  • Pursue or abandon hypotheses based on well-founded recommendations

  • Give everyone access to the same key data at the beginning of a project

 
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Save time

  • Save time reviewing, retrieving, and analyzing the relevant data

  • Start working right away on 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 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 Estimation

The difficulty of the project is estimated by 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-crystallized small molecules and protein partners, homolog structures, druggable pockets, and putative off-targets.

 
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Save Time

Save time preparing the data and get right to work! Pre-formatted structure files are delivered with the report; 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 discovered when exploring the structures of close target homologs and structurally similar pockets.

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Lead Generation

 
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List of Known Binding Compounds

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

 
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 them 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 Effects

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

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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Potential Therapeutic Targets

The potential of each identified drug target is investigated through literature searches.

 
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New Market

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

 
drug repurposing