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Cytochrome Inhibitor Library

Cytochromes 450 (CYPs) are involved in the metabolic clearance of the vast majority of prescribed drugs and foreign chemicals to which the body is exposed, and are therefore considered as one of the most important enzyme families. Cytochromes are characterized by a common site structure with rigid conformation due to the presence of a heme group.

BOC Sciences is able to design and build a cytochrome screening library using a similarity search method.

Screening for mycobacterial respiratory pathway inhibitors. Figure 1. Screening for mycobacterial respiratory pathway inhibitors. (Koul, A.; et al. 2011)

Library Design

  1. Firstly, a 2D fingerprint similarity search strategy is applied against a reference set of compounds (Tanimoto cut-off > 0.85) obtained from database screening
  2. More than 1,900 structurally diverse screening compounds are selected from the HTS compound collection that enables to fit the cytochrome binding sites to form donor/acceptor bonds and produce CYP inhibition

BOC Sciences selects the following target enzymes:

  • Cytochrome P450 2B6
  • Cytochrome P450 2A6
  • Cytochrome P450 1A1
  • Cytochrome P450 17A1
  • Cytochrome P450 3A4
  • Cytochrome P450 2C19
  • Cytochrome P450 2D6
  • Cytochrome P450 3A4/3A5
  • Cytochrome P450 19A1
  • Cytochrome P450 51
  • Cytochrome P450 11B1
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 11B2

Cytochrome Inhibitor 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
  • Confirmed bioactivity and safety via preclinical studies and clinical trials
  • Structural diversity, significant efficacy, and cellular penetration
  • Structural document, IC50, and other chemical and biological data are provided
  • Tanimoto index ≥ 0.80
  • 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 Cytochrome Inhibitor Library design at competitive prices for global customers. Personalized and customized services of Cytochrome Inhibitor 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. Koul, A.; et al. The challenge of new drug discovery for tuberculosis. Nature. 2011. 469(7331): 483.
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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