High-throughput screening (HTS) technique is an experimental method at the molecular and cellular levels. As the current mainstream drug screening method, HTS has the advantages of small amount, fast speed, high sensitivity and high accuracy, and can screen thousands of samples at the same time. Hence, the technology relies heavily on a large number of compound libraries with high structural diversity, and HTS compound libraries are useful specialized tools for drug discovery and new indication research. BOC Sciences HTS Compound Library is consist of more than 10,000 compounds with proven biological and pharmacological activity. Our various HTS Compound Libraries can be used for high throughput screening and high content screening.
Figure 1. A HTS flow. (James, I.; et al. 2007)
HTS Compound Library Design
- Synthesis
- Compound selection
- Diversity filters, Fingerprint similarity and Tanimoto coefficient
- Expert estimation and pre-selection
- Saturation degree Fsp3 scoring, optimal physicochemical parameters, and PAINS filters and activity profiling
- Virtual coupling of blocks and stock reagents
- Give priority to drug-likeness, novelty and rare chemotypes
- Initial conception market research
Advantages of BOC Sciences HTS Compound Library
- Fast update speed
- Clear goals, covering a variety of research signal pathways
- Compounds with ideal drug-like properties, diversity, high quality and high purity
Our Services
To make it easier and better for researchers, BOC Sciences has designed HTS Compound Libraries containing multiple compound collections. We have prepared the most convenient services for you.
3D-shaped Diversity Compound Library
Molecules containing significant 3D shapes usually exhibit ideal aqueous solubility. Experts therefore develop 3D-shaped diversity compound library to deliver compounds containing conformations with distinct 3D shapes to explore protein binding sites. BOC Sciences is capable of utilizing the plane of best fit and principal moment of inertia approaches to create a top-quality 3D-shaped Diversity Compound Library.
3D-pharmacophore-based Screening Library
3D-pharmacophore-based screening library has been widely used in the chemical properties study, spatial arragement investigation and so on. Aiming to obtain potential hits during HTS campaigns, our teams focus on establishing a 3D-pharmacophore-based Screening Library containing compounds with high diversity in terms of potential pharmacophore sites.
Scaffolds and Scaffold-based Compound Library
Accurate identification of molecular building blocks or scaffolds that are compatible with binding site can help to study certain aspects of target specificity. We can develop multiple scaffold libraries for different HTS projects by enumerating various compounds from scaffolds for molecules containing these unique scaffolds.
Pre HTS Compound Library
The goal of developing Pre HTS compound library is to generate maximum diversity while maintaining desirable drug-like properties. BOC Sciences can apply multiple strategies to design pre-selected, diverse HTS screening library. Compared with other HTS compound screening libraries, our well-designed Pre HTS Compound Library has the following merits including high structural diversity, good target diversity and ideal drug-like properties.
Phenotypic Screening Library
In small molecule drug discovery, phenotypic screening has become a powerful tool for finding new active substances. BOC Sciences can construct both chemical diversity phenotype library and biological diversity phenotype Library, helping to discover new mechanisms of action and study the signaling pathways.
Hit Locator Library
In order to generate the most promising hit compounds in primary screening campaigns, our scientific teams have established a Hit Locator Library that is enriched with newly synthesized compounds. Various filters and clustering methods are applied to ensure the library high level of diversity.
PAINS Library
In the PAINS Library construction process, our teams carefully remove all PAINS-related compounds. A diversity of computational protocols such as well-known PAINS filters, fingerprint-based methods and Tanimoto similarity distance calculation are employed in the PAINS Library design.
Discovery Diversity Library
Aiming to find hit compounds with some degree of novelty and lead-like properties, BOC Sciences has employed parallel chemistry knowledge to establish a Discovery Diversity Library with the full consideration of molecular properties and structural features.
Pre-plated Diversity Library
Pre-plated diversity sets have provided an easy and cost-effective method to identify potential drug leads. Our exclusive pre-plated diversity collection contains 50,000 compounds with ideal physicochemical properties that are selected via employing a dissimilarity search.
Diversity Core Library
At BOC Sciences, a variety of structural diversity strategies are applied to synthesize small molecules with large structural differences for the Diversity Core Library construction. We have developed this unique library by sampling the chemical space as much as possible while maintaining the scale of the number of compounds.
What We Deliver
- These HTS compound libraries have been extensively validated in our in-house bioassay and external partner laboratories
- All compounds in the library are controlled by NMR, HPLC and other techniques to ensure >90% purity
- The compounds involved in the HTS compound libraries cover a broad chemical space with optimal physicochemical properties for medicinal chemistry and drug discovery processes
- We apply a range of methods to ensure the diversity and high specificity of the compound library
- Each library can be carefully designed for different research subject
- Delivery of libraries according to your requirements in a short time
BOC Sciences provides professional, rapid and high-quality services of HTS Compound Library design at competitive prices for global customers. Personalized and customized services of HTS Compound 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
- James, I.; et al. Reporting data from high-throughput screening of small-molecule libraries. Nature Chemical Biology. 2007. 3: 438-441.
