Novel Pyrimidinone Linked 1,2,3-Triazole Scaffolds as Anti-Microbial and Antioxidant Agents: Synthesis, In-vitro and In-silico Studies
Narendra Kumar Maddali
Department of Chemistry, Koneru Lakshmaiah Education Foundation (KLEF), Green Fields, Vaddeswaram, Guntur, Andhra Pradesh 522 502, India.
I. V. Kasi Viswanath
Department of Basic Sciences & Humanities (Chemistry), NRIIT, Agiripalle, Vijayawada, Andhra Pradesh 521 211, India.
Y. L. N. Murthy
Department of Organic Chemistry, Andhra University, Visakhapatnam, Andhra Pradesh 530 003, India.
Vasavi Malkhed
Molecular Modelling Research Laboratory, Department of Chemistry, Osmania University, Hyderabad, Telangana 500 007, India.
Vani Kondaparthi
Department of Humanities and Sciences, Keshav Memorial Engineering College, Osmania University, Telangana 500058, India.
Pradeep Kumar Brahman
Department of Humanities and Sciences, Keshav Memorial Engineering College, Osmania University, Telangana 500058, India.
B. Govindh *
Department of Basic Sciences and Humanities, Raghu Institute of Technology, Visakhapatnam, Andhra Pradesh, India.
*Author to whom correspondence should be addressed.
Abstract
The present study states the synthesis of a novel series of pyrimidinone linked 1,2,3-triazole scaffolds by click chemistry method. Further, the synthesized compounds were evaluated for their antimicrobial studies against S. aureus and S. pneumoniae. Among the synthesized compounds, almost all compounds demonstrated significant antimicrobial activity against S. aureus, S. pneumoniae, E.coli and P. aeruginosa, as evident from the zone of inhibition resulted. In addition, synthesised compounds were screened for their antioxidant activity by the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay method. Furthermore, computational study was performed to understand the interactions between synthesised compounds with dehydrosqualene synthase of Staphylococcus aureus (PDB ID: 2ZCS) and few Compound revealed the highest binding energies ΔG = -9.5, -9.8, and -10.1 Kcal/mol.
Keywords: Pyrimidinone, click chemistry, antimicrobial, DPPH, antioxidant, zone of Inhibition