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Adenosine Receptors Targeted Library

Adenosine plays an important role in intermediary metabolite, acting as a building block for nucleic acids and a component of the biological energy currency ATP. It is involved in various physiological and pathological effects through membrane-bound receptors that are associated with G proteins. Adenosine functions as a signalling molecule through the activation of four distinct adenosine receptors. A lot of researches suggest that adenosine may be a promising therapeutic target for a variety of diseases. Moreover, scientists have found selective agonists and antagonists of adenosine receptors. In light of this, BOC Sciences has developed an androgen receptor antagonists library to provide a variety of available agonists and antagonists of adenosine receptors.

Adenosine receptor signalling pathways. Figure 1. Adenosine receptor signalling pathways. (Kenneth, A.; et al. 2006)

Library Design

  1. Firstly, we apply a series of reliable reference of adenosine receptor modulators
  2. Then, we perform accurate analysis against these molecule before clustering
    • Isosetric & bioisosteric transformations
    • Hot-spots & crucial binding points
    • Scaffold hopping
    • 2D topological similarity
    • 2D fingerprints
    • Scaffold priority/profiling
  3. The following approaches are conducted for the final reference set for library preparation
    • Focus on novel chemistry
    • Scaffold prioritization
    • 2D similarity
    • 2D/3D topological analogues
    • 3D pharacophore modeling
  4. The core structures of A2A antagonists contain: tricyclic core, monocyclic core, bicyclic core, etc
  5. Finally, we can obtain the final adenosine receptors targeted library

Adenosine receptor agonists. Figure 2. Adenosine receptor agonists. (Kenneth, A.; et al. 2006)

Adenosine Receptors Targeted Library Characteristics

  • No PAINS or toxic substances/unwanted functions: filtered by strict ‘Ro5-like’ physicochemical and most stringent in-house structural filters
  • All PAIN and reactive compounds are excluded from selection by internal filter applications
  • IC50, Ki, etc less than 10 μM, inhibition >25%
  • Confirmed bioactivity and safety via preclinical studies and clinical trials
  • All of the compounds have been selected by ligand efficacy and predicted binding mode
  • Structural diversity, significant efficacy, and cellular penetration
  • Structural document, IC50, and other chemical and biological data are provided
  • Tanimoto index ≥ 0.75
  • All compounds are continually updated
  • Compound cherry-picking service is provided

What We Deliver

  • Delivered within 2 weeks in any customer-preferred format
  • Powders, dry films or DMSO solutions formatted in vials, 96 or 384-well plates
  • All compounds have a minimum purity of 90% assessed by 1H NMR and HPLC
  • Analytical data is provided

BOC Sciences provides professional, rapid and high-quality services of Adenosine Receptors Targeted Library design at competitive prices for global customers. Personalized and customized services of Adenosine Receptors Targeted Library design can satisfy any innovative scientific study demands. Our clients have direct access to our staff and prompt feedback to their inquiries. If you are interested in our services, please contact us immediately!

Reference

  1. Kenneth, A.; et al. Adenosine receptors as therapeutic targets. Nature reviews. Drug discovery. 2006. 5(3): 247-264.
Our mission is to provide clients with a professional chemical library design platform. Empowered by high-quality services and effective research solutions, we are committed to helping customers achieve effective and successful research goals.

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Services Based on the Chemical Library Design Platform

Services Based on the Chemical Library Design Platform

BOC Sciences has rich experience in working with global customers in custom library synthesis of compounds and generating small to medium-sized libraries of target compounds. Our knowledge in generating a large number of target molecules in a remarkably shorter time enables quick biological screenings for affinities. With the target properties in mind, we deliver target molecules, by applying our extensive knowledge in drug discovery.

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