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Boehringer Ingelheim (BI) has published regarding mining active molecules from BI-CLAIM, a 500 billion product library of accessible compounds by corporate combinatorial chemistry.
Boehringer Ingelheim GmbH, have just published their first prospective successes using BioSolveIT's market leading fragment based drug design technology. The technology was initially pioneered and developed with Pfizer Inc. where it proved to be highly successful in permitting Pfizer to retrieve hits from 3 trillion products in just minutes.
BI has consulted with BioSolveIT to achieve a highly unique and tailored solution to drug discovery. BioSolveIT utilized its expertise and facilitated in designing a fragment space termed BI-CLAIM ("Boehringer Ingelheim Comprehensive Library of Accessible Innovative Molecules"). Using BI's proprietary in-house combinatorial chemistry and BioSolveIT's CoLibri tool, a unique and individual chemical fragment space was created containing appropriate reagent lists that span nearly all potentially accessible compounds at BI. The BI-CLAIM fragment library contains about 1,600 scaffolds and 30,000 reagents which encode roughly 500 billion possible virtual compounds. Searching BI-CLAIM with the FTrees technology only takes a matter of a couple of minutes!
BI has already successfully used the add-on module FTrees-FS (Fragment Spaces) in two prospective applications. The first being a known active GPCR ligand where a few hundred compounds were synthesized from two compound classes which provided active hits as good as 100nM. The second example utilizing BioSolveIT's fragment based screening solution was with a known protease inhibitor, where FTrees-FS helped to discover compounds within the 10nM range. In both cases R&D proceeded without complications allowing progression of the projects in an efficient manner.
Currently most large pharmaceutical companies are exploring the diverse, novel, and rewarding discovery opportunities available with BioSolveIT fragment based virtual screening. If you would also like to join in with BioSolveIT in piecing together fragments for discovery success contact us.
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