Epigenetic Screening Library

Epigenetics refers to a broad range of heritable changes in gene expression that are not caused by alterations in the DNA sequence itself. In general, a epigenetic change precedes disease pathology, which make it a valuable diagnostic indicator for disease risk or prognostic indicators for disease progression. A diversity of types of epigenetic processes have been identified, including DNA methylation, alterations in histone structure and gene regulation via small non-coding microRNAs. Epigenetics therefore plays an important role in many types of diseases, including cardiovascular diseases, neurological disorders, metabolic disorders, cancer, and several others. Nowadays, epigenetics has become an important area in drug therapy due to the nature of reversibility of epigenetic events.

At BOC Sciences, our well-developed high-throughput (HTS) platform enables us to establish chemical libraries against specific epigenetic biochemical targets. The epigenetic screening library contains screening compounds with drug-like phenotypes that are carefully selected via computational chemistry and virtual screening techniques to facilitate epigenetic-target drug discovery.

Epigenetic drug library screening for compounds specifically promoting the differentiation of Utx-null HSPCs. Figure 1. Epigenetic drug library screening for compounds specifically promoting the differentiation of Utx-null HSPCs. (Bao, W.; et al. 2019)

Epigenetic Screening Library Design

BOC Sciences has developed two epigenetic screening libraries using ligand-based and structure-based approaches, respectively.

Epigenetic focused libraries via 2D fingerprint similarity search

A reference set of known epigenetic modulator molecules is obtained from the ChEMBL database, which includes all available compounds with known high activity against human epigenetic targets
Next, a 2D fingerprint similarity search is performed on the BOC Sciences HTS compound set. 2D fingerprint similarity means that the subset of reference active compounds and the molecule of interest are represented as a set of small fragments encoded in a bit string (fingerprint), and then the two sets of ‘fingerprints’ are compared to estimate their degree of similarity
Finally, 3,500 epigenetics-related screening compounds are generated successfully

Epigenetic targeted library via docking screening

This library contains 8,000 structurally diverse screening molecules that are screened through virtual screening against the following epigenetic targets:

Epigenetic Screening Library Characteristics

No PAINS or toxic substances/unwanted functions: filtered by strict ‘Ro5-like’ physicochemical and most stringent in-house structural filters
Unique small molecule regulators with biological activity for epigenetic studies and related assays
The library contains epigenetics-related compounds targeting HDAC, histone demethylases, histone acetyltransferases (HAT), DNA methyltransferases (DNMT), epigenetic reader domains, microRNAs, etc
Valuable tool for epigenetic target identification in chemogenomics, pharmacogenomics and other biological applications
Bioactivity and safety confirmed by preclinical studies and clinical trials
Structural diversity, medicinal activity, and cellular penetration
Structural document, IC₅₀, and other chemical and biological data are provided
All compounds are continually updated
All of these compounds with Tanimoto index ≥ 0.85
Compound 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 and HPLC
Analytical data is provided

BOC Sciences provides professional, rapid and high-quality services of Epigenetic Screening Library design at competitive prices for global customers. Personalized and customized services of Epigenetic 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

Bao, W.; et al. Epigenetic drug library screening identified an LSD1 inhibitor to target UTX-deficient cells for differentiation therapy. Signal Transduction & Targeted Therapy. 2019. 4: 11.

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Services Based on the Chemical Library Design Platform

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.

Our mission is to provide clients with a professional chemical library design platform. Empowered by high-quality services and effective research solutions, we are committed to helping customers achieve effective and successful research goals.