Menin/MLL Targeted Library

Menin is an important co-factor of oncogenic MLL fusion proteins, and the menin-MLL interactions are essential to study the development of acute leukemia in vivo. Targeting the menin-MLL interactions with small molecules provides an attractive strategy for the development of new anticancer agents. The accurate determination of menin crystal structures and the development of potential small molecule and peptide mimetic inhibitors demonstrate the feasibility of targeting menin-MLL interactions. Furthermore, MLL binds to menin in a complex bivalent mode involving two MLL motifs. Efforts on targeting the menin-MLL interactions have revealed that potential benefit of blocking menin in cancer.

BOC Sciences is focused on investigating menin-MLL interactions and exploring menin-MLL inhibitors to develop a Menin/MLL targeted library.

Figure 1. Menin is involved in a diverse network of protein-protein interactions. (Cierpicki, T.; Grembecka, Jolanta. 2014)

Library Design

At BOC Sciences, our well-trained scientific staffs have generated a high-throughput virtual screening method based on docking approach to generate this library:

1. A receptor-based virtual screening workflow is developed based on X-ray data for the complexes with a 6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile 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: 5DB3
3. Finally, 943 potential menin-MLL inhibitors selected with computational chemistry and virtual screening techniques are generated successfully

Figure 2. Structures of small molecule inhibitors bound to menin. (Cierpicki, T.; Grembecka, J. 2014)

Menin/MLL 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 Menin/MLL Targeted Library design at competitive prices for global customers. Personalized and customized services of Menin/MLL 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!