theoretical aspects of bonds in the complexes benzoxapine derivatives with phosphoinositide -3- kinase delta

The aim of this work is to theoretically study the interaction of benzoxazepine derivatives with amino acids arginine and tryptophan of phosphoinositide -3- kinase delta (pi3kδ) using 6-31g (d) / b3lyp theory level. in this study, two directions have been considered to investigate the formation of a complex between benzoxazepine derivatives and pi3kδ, through different aryl groups connected to carbon atoms 8 and 9, the benzene rings form the benzoxazepine complex. qtaim results showed that there were some hydrogen bond interactions between benzoxazepine derivatives and the active space pik3δ.