Synthesis and molecular docking of some new 3,5-bis-(diazipine, pyrazolopyrimidine, pyrimidine, and pyrazole) pyridine derivatives and their in vitro and in vivo biological evaluation as potential antitumor agents

Bis enaminone derivative 6 was reactive enaminone to synthesize new heterocyclic compounds containing diazipine, pyrazolopyrimidine, triazolopyrimidine, and pyrazole moieties by reaction with different bifunctional reagents. Structures of new compounds were confirmed by analytical and spectral data. Moreover, the new compounds were screened in-vitro as antitumor agents for Ehrlich ascites at different concentration. The results showed the compounds 18, 19, and 20a have a good activity. In addition to, the molecular docking of these mentioned compounds was studied using vascular endothelial growth factor receptor.

Automated summary

In this study, a series of new heterocyclic compounds were synthesized using Bis enaminone derivative 6 and different bifunctional reagents, and their structures were confirmed by analytical and spectral data. The synthesized compounds were screened for in-vitro antitumor activity, with compounds 18, 19, and 20a showing good activity. Molecular docking studies of these compounds were also conducted using vascular endothelial growth factor receptor.