Otava and Life Chemicals Present the PI3K Focused Library
Product News Jun 08, 2006
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 300000 compounds and subsequent chemical optimization.
Otava provides its drug-like Green Collection (50000 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 our focused libraries good starting point for drug discovery purposes.
In case of this library detection of H-bonding between ligand and key PI3K hinge region residue (Val882) was used for its preparation.