Document Type: Research article
Department of P.G. Studies and Research in Industrial Chemistry, Jnana Sahyadri, Kuvempu University Shankaraghatta, Shivamogga, Karnataka, India.
Toxinology/Toxicology and Drug Discovery Unit, Centre for Emerging Technologies (CET), Jain University, Kanakpura Taluk, Ramanagara India.
Cardiomyocyte Toxicity and Oncology Research Laboratory, Department of Bioinformatics, SCBT, Sastra University, Thanjavur, India.
In this investigation, the synthesis of 2-substituted pyrimidines by the reaction of benzofuran
chalcones (3a-d) with urea, thiourea and guanidine hydrochloride was reported. The structures
of title compounds (4a-d), (5a-d) and (6a-d) were established on the basis of analytical
and spectral data. The synthesized compounds were screened for antimicrobial activity
and molecular docking studies. Some of the compounds displayed excellent antimicrobial
activity. The molecular docking analysis revealed that compounds 5a and 5c with the lowest
binding energy in comparison to others suggesting its potential as best inhibitor of GluN-6-P.
Consequently, it is confirmed from the above analysis that the compounds 5a and 5c might
serve as a useful backbone scaffold for rational design, adaptation and investigation of more
active analogs as potential broad spectrum antimicrobial agents.