Phenotypic screening has proven its importance in small molecule drug discovery and has become an increasingly popular method for finding new active substances. Scientists have developed new phenotypic screening techniques in the process of specially designed phenotypic screening libraries. To meet all requirements, BOC Sciences has designed reliable compound libraries for phenotypic screening projects.
Application of Phenotypic Screening Library
- Discover new mechanisms of action
- Study signaling pathways
- Discover new biological targets
Figure 1. Flow diagram of the steps of phenotypic library screening. (Sato, M. 2020)
Library Design
BOC Sciences uses various molecular scaffold or chemical descriptor to assemble most chemically diverse set of compounds and construct libraries for performing phenotypic screening. Our experts create library by maximizing known biodiversity rather than screening collected chemical diversity.
Chemical diversity phenotype library
Our chemical diversity screening library is designed to cover a wide range of targets and molecular processes. Moreover, an abundance of biologically relevant molecules with desire physicochemical parameters can be well-collected in the library. The chemical diversity phenotype library design process is as follows:
- Firstly, we select the most diverse and drug-like molecules from BOC Sciences HTS compound collection
- Then, a variety of filters are employed such as diversity-based filtering, Lipinski Rule of 5, Veber criteria, Lilly MedChem Rules and PAINprinciples, etc., to ensure that there is no reactive and unstable molecules
- Finally, high values of logSw and Caco/MDCK is also applied to generate the high quality chemical diversity phenotype library
Biological diversity phenotype Library
In addition to applying structural dissimilarity rules wherever possible, biodiversity phenotype libraries also prioritize maximum diversity of biological activities of compounds. The library contains more than 4,000 compounds with experimental biological activity (including many approved and experimental drugs) extracted from our database. Furthermore, the library has been enriched with 3,500 analogs of the above bioactive compounds by applying 2D fingerprint similarity searches (Tanimoto≥0.85). In addition, 3,400 natural product-related compounds (including about 1,500 natural-like fragments) are also added to fill the library with more biologically relevant molecules.
- Reactive, toxic and PAINS compounds are eliminated successfully
- The library does not contain compounds with LogSw and Caco/MDCK cell permeability
- Links to the biological activity profiles of compounds in the library are available
- Various compound annotations for all targets associated with each compound are also supported
Table1. Physicochemical parameters for the BOC Sciences Phenotypic Screening Library
| Parameter | Value |
| MW | ≤600 |
| ClogP | -1-6 |
| Number of Rotatable Bonds | ≤12 |
| Number of H Donors | ≤5 |
| Number of H Acceptors | ≤10 |
| Number of Rings | 1-7 |
| Compounds with ‘undesirable’ functionalities | Removed |
| Number of Rings | 0-5 |
| Polar Surface Area | 0-175 |
| Fraction of SP3-Hybridized Carbons | 0-1 |
| ClogS | -7-1 |
Features of Phenotypic Screening Library
- BOC Sciences can provide customized library design services in compliance with individual client’s requirements
- Approved drugs with verified mechanism of action
- Potent inhibitors against diverse protein targets
- Polypharmacology, target number and description are covered
- Most of the compounds are labeled with the number and name of the associated disease
- Custom compound selection based on specific parameters can be performed on request
- 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
- Analytical data is provided
BOC Sciences provides professional, rapid and high-quality services of Phenotypic Screening Library design at competitive prices for global customers. Personalized and customized services of Phenotypic Screening 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
- Sato, M. Phenotypic screening using large-scale genomic libraries to identify drug targets for the treatment of cancer. Oncology Letters. 2020. 19(6): 3617-3626.
