The library was prepared on the base of Otava and Life Chemicals Stock Collections (about 500,000 compounds total) using receptor-based virtual screening.
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 our focused libraries good starting point for drug discovery purposes
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