Enamine and H. Lundbeck A/S (Lundbeck) announced the expansion of their research collaboration. Enamine will support Lundbeck’s in-house discovery chemistry competencies with three principal assets enabling Lundbeck to optimally identify and develop hit series in its multiple research programs. A large diverse library of 100 000 new screening compounds was done for hit finding activities on numerous therapeutic targets. Enamine’s make-on-demand REAL compounds are for efficient access to billions of novel chemical compounds. Enamine FTE increased dedicated team of chemists to effectively support Lundbeck on all hit related follow-up activities backed by immediate access to over 170 000 building blocks in Enamine’s inventory.
Scientists at the UCSF, together with colleagues at the UNC, created the largest “docking-friendly” database of molecules, based on the Readily Accessible (REAL) compounds from Enamine. Practical validation of the new database was recently published in Nature magazine, demonstrating that it is capable of identifying extremely powerful and synthetically available new hits.
EU-funded project PELICO, under Enamine’s coordination, reports promising results in synthesis of peptides, their pharmacokinetic and toxicity studies, and coupling with photo-controlled building blocks to yield new photo-controlled peptidomimetics.
Enamine is a global supplier driven by people with passion to Chemistry. Over twenty years we have been committed to serving our customers in diversified markets ranging from screening libraries discovery to building blocks for medicinal chemistry and biological screening services. In order to meet their high expectations, we have gathered a team of motivated chemists and biologists and equipped our numerous labs and production facilities with state of the art equipment and quality control systems. We are constantly developing to address the challenges of dynamically evolving drug discovery industry.
With the thought of our customers, we have adopted high level of business process automation and resource management to timely deliver products of highest quality and competitive prices. Over the years we have created smart IT systems simplifying life for our employees and making business more efficient.
In order to model the interaction interface between β-catenin and Tcf-4 we used reported structural data (ACS Chem. Biol.2014, 9, 193−201) to identify critical contacts including intriguing protonated pyridine (cation) – π-interaction between docked ligand and Arg474/515 tweezers. Taking into consideration topology of the hydrophobic pocket and H-bond of the aromatic NH2 group with protein’s Lys508 residue we built a respective pharmacophore model (Fig. 1). Docking and scoring of our medchem screening set (ca. 2 625 717 diverse drug-like compounds) yielded a focused selection of ca. 1 771 prioritized small molecules immediately available for screening.
Fig. 1.Binding interface between β-catenin and representative ligand from the focused subset.
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