Fragment-based drug discovery (FBDD) has proven to be an efficient and cost-effective approach which is applicable to most common protein targets, such as kinases or proteases. The key feature of the FBDD technology is to start discovery from the identification of low-molecular-weight compounds that bind to biomolecules of interest. In order to avoid producing false results, fragment solubility is taken into account when performing measurement of binding interactions at higher concentrations. Therefore, the design of high-quality fragment screening libraries with the application of comprehensive structural and chemoinformatics-based analysis, and experimental solubility evaluation is of vital importance. BOC Sciences is able to design and synthesize a new diversity-oriented fragment compound screening set with experimental solubility data, which provides an effective starting point for FBDD research projects.
Figure 1. Overview of fragment-based discovery. (Fischer, M.; Hubbard, R. E. 2009)
At BOC Sciences, our Diversity Screening Subsets of Soluble Fragments contain more than 2000 fragments, which is the largest and most reliable source of high-quality fragments. We cooperate with leading experts in the field of FBDD to design and supply top-level fragment libraries, aiming to meet needs of each client.
Table1. The summary of the BOC Sciences Diversity Screening Subsets of Soluble Fragments characteristics
Parameter | Value |
MW | 100-300 |
ClogP | -2-3 |
Number of Rotatable Bonds | 0-3 |
Number of H Donors | 0-3 |
Number of H Acceptors | 0-3 |
Number of Rings | 0-5 |
LogSw | >-5 |
Sum of Halogen Atoms | ≤1 |
Compounds with ‘undesirable’ functionalities | Removed |
Fsp3 | <1 |
TPSA | ≤1 |
ClogS | 10-135 |
Diversity | >45% |
Screening pools of 1,280, 960 and 320 drug-like low molecular weight fragments
Average Tanimoto index<0.53 diversity="">47%)
BOC Sciences provides professional, rapid and high-quality services of Diversity Screening Subsets of Soluble Fragments design at competitive prices for global customers. Personalized and customized services of Diversity Screening Subsets of Soluble Fragments design an 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
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.