Drug discovery requires a wide range of chemical structure dissimilarity and high-quality drug-like and lead-like compounds to screen out potential or validated biological targets when little information on the structure is known. Nowadays, pre-plated diversity sets have play important roles in many drug discovery projects. Scientists have designed these useful libraries to identify potential drug leads in a simple, convenient, and cost-effective way.
BOC Sciences has established our exclusive pre-plated diversity collection, consisting of a total of 50,000 compounds with ideal physicochemical properties. Our expert teams have applied advanced synthetic methods combined with years of experience to design these unique compounds which are selected by employing a dissimilarity search from the BOC Sciences HTS Compound Library of newly synthesized molecules.
Application of BOC Sciences Pre-plated Diversity Library
- Provide access to a collection of small molecules with diverse structure
- Facilitate phenotypic (cell-based) high-throughput screening
- Facilitate target-based high-throughput screening
Figure 1. Typical Echo acoustic compound dosing workflow for 96-well plate cell-based assays. (Grant, R. J.; et al. 2009)
Pre-plated Diversity Library Design
BOC Sciences provides diverse subsets of 5,000, 10,000, 15,000 and 20,000 compounds. We have designed a clustering algorithm based on standard Daylight fingerprints and Tanimoto similarity to select these compound. These Diversity Sets are complementary and can be combined to create broader and more diverse screening libraries (up to 30,000, 40,000 and up to 50,000 compounds in total).
Table1. Physicochemical parameters for the BOC Sciences Pre-plated Diversity Library
Diversity Set | Average Values | ||||||
| MW | HBD | HBA | ClogP | RotB | Fsp3 | TPSA | |
| 50K | 356.64 | 3.85 | 1.49 | 2.61 | 4.87 | 0.35 | 74.99 |
| 20K | 363.19 | 3.87 | 1.50 | 2.77 | 5.03 | 0.34 | 74.60 |
| 15K | 355.25 | 3.84 | 1.51 | 2.55 | 4.84 | 0.36 | 74.76 |
| 10K | 351.00 | 1.48 | 3.84 | 2.45 | 4.72 | 0.36 | 75.62 |
| 5K | 345.83 | 1.44 | 3.83 | 2.48 | 4.62 | 0.36 | 76.00 |
Features of Pre-plated Diversity Library
- Average Tanimoto threshold 0.71-0.77 for individual subsets
- The mean Tanimoto value of the Diversity Set is 0.409 which is calculated using ECFP fingerprints
- No overlap with our previous diversity set of 50,000 compounds
- All screened compounds met Lipinski's ‘Drug Similarity’ guidelines and Veber criteria
- Different series of PAINS filters are applied to filter non-reactive and unstable molecules
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
- Analytical data is provided
BOC Sciences provides professional, rapid and high-quality services of Pre-plated Diversity Library design at competitive prices for global customers. Personalized and customized services of Pre-plated Diversity 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
- Grant, R. J.; et al. Achieving Accurate Compound Concentration in Cell-Based Screening: Validation of Acoustic Droplet Ejection Technology. Journal of Biomolecular Screening. 2009. 14(5): 452-459.
