BRD9 Inhibitors Library

Readers are defined as chromatin regulators with specific domains that recognize and bind covalent modifications of nucleosomes. Bromodomain-containing proteins (BRDs) specifically bind acetylated lysines through an evolutionarily conserved protein interaction modules. BRDs are primarily involved in gene transcriptional regulation, cell cycle control, cell growth, DNA damage response, inflammation, and development. Several BRDs that act as oncogenes or tumor suppressors are associated with cancer development and maintenance, making them attractive pharmacological targets for future anticancer strategies. BRD9 is frequently over-expressed in cancer, BRD9 is therefore a major driver for maintaining proliferation and survival of leukemic cells, and function as a therapeutic target for leukemia. Due to the complexity of BRD7/9-mediated interactions in chromatin, selective and potent inhibitors of these bromodomains would constitute valuable biological tools to enable functional studies of these essential chromatin interaction domains, and may allow for exploitation in small-molecule therapies for a variety of diseases.

To advance the discovery and development of potent and selective BRD9 inhibitors, BOC Sciences has designed a proprietary BRD9 inhibitor screening library.

Figure 1. Fragment hit for BRD9. (Peter, G. K.; et al. 2015)

Library Design

At BOC Sciences, our experts have established a high-throughput virtual screening method based on molecular docking approach to generate this library:

1. A receptor-based virtual screening process is created based on X-ray data for the complexes: 5EU1
2. The compounds in the HTS compound collection have been pre-filtered using BOC Sciences' internal filters and then docked at the active site. Moreover, a variety of H-bond constraints: HOH301, ASN100 are taken into consideration
3. Finally, 1,563 potential BRD9 inhibitors selected with computational chemistry and virtual screening techniques are generated successfully

Figure 2. Co-crystal structure of compound and BRD9. (Peter, G. K.; et al. 2015)

BRD9 Inhibitors Library Characteristics

• No PAINS or toxic substances/unwanted functions: filtered by strict ‘Ro5-like’ physicochemical and most stringent in-house structural filters
• 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 BRD9 Inhibitors Library design at competitive prices for global customers. Personalized and customized services of BRD9 Inhibitors 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!