Indole moiety bearing Pyrimidine-2-thiolderivatives: Synthesis, Characterization and their insilico molecular docking studies in comparison to standard ligand drug

A novel indole moiety bearing pyrimidine - 2-thiol derivatives was synthesized from chalcones using a designed synthesis procedure, a reaction of substituted acetophenones and indole-3-aldehyde. Further synthesized chalcones upon reaction with thiourea give novel pyrimidine derivatives bearing indole moiety. The developed indole-bearing pyrimidine 2-thiol derivatives were characterized by physical and spectral analysis. Molecular docking studies were carried out at various targets using Auto Dock Vina software and revealed that some pyrimidine derivatives exhibit significant binding interaction with the active site regions of cyclooxygenase-1 (PDB ID: 3KK6), cyclooxygenase-2 (PDB ID: 5IKR) in comparison to standard ligand drug.