Pre HTS Compound Library

Diversity-based screening remains an important tool for drug discovery. Efficiency and productivity can be greatly improved through the application of screening libraries that provide maximum diversity while preserving desirable drug-like properties. The high-throughput drug screening library is suitable for new drug research and development of high-throughput/high-content drug screening platforms. It can simultaneously screen drugs for various targets and diseases with a sample size of 100,000. Faced with a dizzying array of commercially available screening libraries, each with their own distinct characteristics, Scientists usually have difficulty choosing the ideal screening library for their specific requirements of drug discovery program.

BOC Sciences has created multiple strategies to design pre-selected, diverse HTS screening library, which can make identifying potential drug leads simple, convenient, and cost-effective.

Advantages of BOC Sciences Pre HTS Compound Library

• High structural diversity: Our library contains a variety of compound skeletons, and the diversity coefficient is as high as 0.83
• Good target diversity: Our library covers diverse anti-tumor and anti-virus related targets, available for various screening purposes of different targets
• Strong drug-like properties: All compounds are screened and filtered according to the five principles of drug-like properties, and easy reactants and toxic compounds are excluded successfully
• High repeatability
• Strict quality control

Figure 1. Different approaches developed for the design of biodiverse compound libraries from a pre-plated screening deck. (Wassermann, A, M.; et al. 2014)

Library Design

BOC Sciences designs and synthesizes our Pre HTS Compound Library based on the following two perspectives of skeleton diversity and target diversity, we can use the library to select suitable target molecules from more than 1.5 million small molecules to construct.

• Structural skeleton

Different compounds with the same skeleton structure may exhibit similar or very different biological activities. However, the more skeletons a compound library contains, the higher the structural diversity it enables to represent, the greater the coverage of screening, and thereby the higher the success rate of screening can be obtained in scientific research.

In order to provide a sufficient number of compound skeletons to guarantee high structural diversity of compounds, BOC Sciences can construct a Pre HTS Compound Library containing more than 4,000 types of skeleton structures, and more than 10,000 compounds possess their own unique structures. Moreover, the diversity coefficient is as high as 0.83, indicating a very good structural diversity and wide pharmacodynamic structure space coverage.

• Drug targets

Covering as many hot-spots as possible in a compound library plays an essential role in establishing a successful drug screening platform. We have screened as many as 1.6 million compounds through a variety of tools such as computer virtual screening, structural biology, in vitro, cellular and phenotypic prediction. 100,000 small molecules with drug-like properties are selected which have potential druggability in various targets such as anti-tumor, GPCR, protein interaction, nervous system diseases and anti-virus.

Table1. Physicochemical parameters for the BOC Sciences Pre HTS Compound Library

Features of Pre HTS Compound Library

• BOC Sciences can provide customized Pre HTS Compound Library design services in compliance with individual client’s requirements
• The library can not only meet the demand of each research group supported by the platform to obtain the required research tools, but also realize a library of multi-purpose
• A clustering algorithm based on standard Daylight fingerprints with the Tanimoto similarity index clustering at 0.71 similarity is employed
• All screened compounds fit Lipinski's ‘drug-likeness’ guidelines
• Compounds have been selected as non-reactive compounds, helping to ensure fewer false positives and higher quality results
• Several in-house structural physicochemical filters are applied

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 HTS Compound Library design at competitive prices for global customers. Personalized and customized services of Pre 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!