To continue reading this article, sign up for FREE to
Membership is FREE
and provides you with
instant access
to email newsletters, digital publications, our full content catalogue & more...
Otava and Life Chemicals Present the PI3K Focused Library
Otava and Life Chemicals Inc have presented the human Phosphatidylinositol 3-Kinase focused library with 2189 compounds.
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.
Add Technology Networks as a preferred Google source to see more of our trusted coverage.
