Yeni Seçici Fosfoinositid 3-Kinaz Gama İnhibitörlerin İn Siliko Yaklaşımlarla Belirlenmesi.

In view of the high sequence homology of the ATP binding sites between the lipid kinase phosphoinositide 3-kinase (PI3K) isoforms, selective inhibitors of PI3Kγ have been developed. In this study, R-group enumeration library screening was performed to increase the binding affinity of the known selective inhibitor to the PI3Kγ enzyme. Virtual screening was performed using Glide SP/XP docking protocols. The interactions between the molecules identified by screening and the PI3Kγ protein were examined. In addition, ADME analyzes of these molecules were performed and hit molecules (3, 4) were determined. It was determined by in silico approaches that these hit molecules could be potential PI3Kγ inhibitors. In addition, these hit molecules can be used as lead to design other molecules targeting the PI3Kγ protein. [ABSTRACT FROM AUTHOR]