Molecular docking, synthesis and study of substituted 1-Methyl-6-Oxo-2-[(2z)-2-(3-Oxo-4-Phenylazetidin-2-Ylidene)Hydrazinyl]-4-Phenyl-1,6-dihydropyrimidine-5-carbonitrile derivatives

Synthesis of Substituted 2-[(2-chloro-4-oxo-3-phenylazetidin-1-yl)amino]-1-methyl-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile(6a-r) and 1-methyl-6-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile (7a-o)Derivatives was completed using aromatic aldehyde, ethylcyanoacetate and thiourea in absolute ethanol as per the standard procedure.The completion of reactionmonitored by TLC and structure were confirmed by spectroscopic method viz FT-IR and 1H NMR and elemental analysis.The affinity of synthesized compounds with CDK4 protein was predicted by molecular docking studies. The docking results showed that compound 6l, 6p and 6r has highest affinity with CDK4 protein with minimum energy with good hydrogen bonding interaction