Essential Fragment Library

At BOC Sciences, the goal of the establishment of Essential Fragment Library is to design a powerful tool for initial screening of a series of novel targets. Water solubility and chemical stability in various buffer solutions tests are performed. In addition, our unique fragments in this library are particularly suitable when purposes of research are limited by different factors, such as the verification of novel targets, more cost of building a library for more than one targets, determination of specificity, etc. Therefore, the selection of high-quality compounds plays an important role in the new drug discovery.

Fragment-based screening campaign. Figure 1. Fragment-based screening campaign. (Robson, T. J. 2019)

Essential Fragment Library Characteristics

At BOC Sciences, our Essential Fragment Library is consist of more than 300 fragments, aiming to serve as a reliable source of high-quality fragments. We cooperate with many leading expert teams in the field of FBDD to design and generate top-level fragment libraries, aiming to meet different requirement of each customer.

Table1. The summary of the BOC Sciences Essential Fragment Library characteristics

ParameterValue
MW100-250
ClogP-1.5-2.5
Number of Rotatable Bonds≤3
Number of H Donors≤3
Number of H Acceptors≤3
TPSA0-60 Å2
Compounds with ‘undesirable’ functionalitiesRemoved

Features of Essential Fragment Library

  • Our well-designed Essential Fragment Library for FBDD is mainly guided by the well-known Rule of Three
  • Multiple filtering criteria (physical and chemical filters) are applied to BOC Sciences General Fragment Library to generate Essential Fragment Library
  • Increased hit identification

Based on the frequently reported fragment hits and scaffolds from experimentally determined protein-ligand complex structures, structures involved in our Essential Fragment Library are applied

  • Suitable for different screening assay technologies

Fluorescence polarization anisotropy, surface plasmon resonance, NMR, thermal shift, etc

  • Experimentally assured solubility at 1 mM in PBS buffer and at a concentration of 2 mM and 200 mM in DMSO solution
  • LC-MS approach is emplyed to ensure the chemical stability in aqueous buffer solution (pH 6.5-7.5) at 30°C for 24 hours
  • Compounds with fluorescence interference at 488 or 520 nm are eliminated
  • Compounds with affinity to the surface of the CMD-coated surfaces are carefully removed either
  • All compounds can be used for cherry-picking

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 we provide possess a minimum purity of 90% assessed by 1H NMR
  • Analytical data is available

BOC Sciences provides professional, rapid and high-quality services of Essential Fragment Library design at competitive prices for global customers. Personalized and customized services of Essential Fragment 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. Robson, T. J. Biophysical screening in fragment-based drug design: a brief overview. Bioscience Horizons. 2019. 12(9).
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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