Histone-lysine N-methyltransferase EHMT2 (G9a) Targeted Library

The EHMT2 gene encodes an enzyme that, together with EHMT1, contains a histone methyltransferase complex that methylates histone H3 on lysine 9 (H3K9me2). Numerous findings have shown that G9a is able to catalyze both nodular and non-nodular proteins’ methylation, which plays a crucial role in various biological processes and human diseases. In addition, G9a has been observed to be overexpressed in many cancers, including esophageal squamous cell carcinoma, hepatocellular carcinoma, aggressive lung cancer, brain cancer, multiple myeloma, and aggressive ovarian cancer. Its elevated levels are usually associated with higher methylation levels, leading to the suppression of important tumor suppressor genes. Therefore, targeting G9a in cancer is expected to re-express these key genes.

BOC Sciences has developed a histone-lysine N-methyltransferase EHMT2 (G9a) targeted library to identify G9a inhibitors.

Figure 1. G9a in hypoxia. (Francesco, C.; et al. 2015)

Library Design

At BOC Sciences, a docking-based high-throughput virtual screening method is applied to construct this library:

1. A receptor-based virtual screening procedure is developed based on X-ray data for the complexes with a 2,4-diamino-6-methylpyrimidines derivatives using Schrödinger software
2. The compounds in the HTS compound collection have been pre-filtered using BOC Sciences' internal filters and then docked at the active site: 7BTV
3. The docking procedure implied constraining the crucial feature contributing to the volume
4. Finally, a variety of potential G9a inhibitors selected with computational chemistry and virtual screening techniques are generated successfully

Figure 2. Histone modifications influence chromatin structure and activity. (Francesco, C.; et al. 2015)

Histone-lysine N-methyltransferase EHMT2 (G9a) Targeted 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 Histone-lysine N-methyltransferase EHMT2 (G9a) Targeted Library design at competitive prices for global customers. Personalized and customized services of Histone-lysine N-methyltransferase EHMT2 (G9a) Targeted 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!