Pyridine moiety bearing pyrimidine-2-thiols: Synthesis, characterization and insilico molecular docking studies in comparison to standard ligand drug

Author(s): K. Neelaveni* and Y. Rajendra Prasad


Using specified synthesis process, chalcones were converted into a new pyridine moiety containing pyrimidine-2-thiols. By combining 3-acetylpyridine with substituted benzaldehydes, pyridine-bearing chalcones were developed initialy. New pyrimidine-2-thiol derivatives are produced by the reaction of additional pyridine containing chalcones with thiourea. Physical and spectral analysis was used to describe the derivatives of pyridine containing pyrimidine-2-thiol that were generated. When compared to standard ligand drugs, 4-(4-nitrophenyl)-6-(pyridin-3-yl)-pyrimidine- 2-thiol exhibits significant binding interaction at the active site regions of cyclooxygenase-1 and cyclooxygenase-2, according to molecular docking studies performed at cyclooxygenase targets using Auto-Dock Vina software.

image 10.4303/jdar/236197

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