Efficient synthesis and In Silico study of some novel pyrido[2,3‐d][1,2,4]triazolo[4,3‐a]pyrimidine derivatives.

A novel series of 1,5‐dihydropyrido‐triazolo‐pyrimidine derivatives were prepared by cyclocondensation of 2‐thioxo‐pyrido[2,3‐d]pyrimidines (prepared from reaction of chalcone with 6‐aminothiouracil) with a variety of hydrazonoyl chlorides. Based on spectroscopic evidence and their chemical syntheses, the structures of the newly prepared compounds were elucidated. Designated compounds are forced for molecular docking by using MOE 2014.010 Package software; one of in silico study tools. Synthesized compounds are targeting Human Cyclin‐defendant Kinase 2 (CK2) PDB ID (1PXO.Protein data bank) due to its important role in controlling the human cell cycle and also for meiosis. [ABSTRACT FROM AUTHOR]