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Otava and Life Chemicals Present the Aurora B Kinase Focused Library with 2144 Compounds
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Otava and Life Chemicals Inc have announced the launch of Aurora B Kinase Focused Library.
This library has been created as a part of a joint project aimed at design of a large set of receptor-based sharp-focused libraries.
In the framework of this project, Life Chemicals provides its Collection of 300 000 compounds and subsequent chemical optimization.
Otava provides its drug-like Green Collection (50 000 compounds) and also is responsible for molecular modeling tasks.
Design of the focused libraries consists in Lipinsky/Veber rules filtering and flexible docking in a protein target of certain enzyme family.
Further computational analysis for the presence of critical receptor-ligand hydrogen bond(s) and docking score refinement makes the focused libraries good starting point for drug discovery purposes.
In case of this library detection of H-bonds between ligand and key Aurora B hinge region residue (Ala173) was used for its preparation.
