Premium
Efficient synthesis and In Silico study of some novel pyrido[2,3‐d][1,2,4]triazolo[4,3‐a]pyrimidine derivatives
Author(s) -
Abdelrazek Fathy M.,
Gomha Sobhi M.,
Abdelaziz Hassan M.,
Farghaly Mohamed S.,
Metz Peter,
AbdelShafy Ahmed
Publication year - 2020
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.3901
Subject(s) - chemistry , in silico , protein data bank (rcsb pdb) , pyrimidine , chalcone , docking (animal) , stereochemistry , oxadiazole , combinatorial chemistry , protein data bank , biochemistry , organic chemistry , protein structure , medicine , nursing , gene
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.