Synthesis, Characterization, Docking Study and Biological Evaluation of Substituted Pyrimidines
DOI:
https://doi.org/10.22376/ijlpr.v15i3.1995Keywords:
Chalcone, 2-thioPyrimidine, Anti-microbial activity, Ciprofloxacin, Molecular dockingAbstract
Objective: Synthesis and antimicrobial evaluation of a series of substituted pyrimidines.
Methods: A series of substituted pyrimidines (4a-g) were synthesized from the corresponding chalcones. The chalcones were prepared via Claisen Schimdt condensation between p-Chloroacetophenone and substituted benzaldehyde. These chalcones were then cyclized with thiourea in methanol medium via Michael’s addition to obtain substituted pyrimidines. All pyrimidine derivatives were characterized by IR (Infrared radiation), 1 HNMR (Proton nuclear magnetic resonance) spectral studies. Their in-vitro antimicrobial activity was evaluated using the cup-plate method. Molecular docking studies were conducted using PyRx and other computational tools.
Results: Some of the compounds have exhibited promising antimicrobial activities.
Conclusion: According to the activity studies, it is observed that the synthesis and antimicrobial activity of substituted pyrimidines have been shown better activity. Furthermore, the findings from molecular docking offer guidance on how to further modify the lead compound to enhance its inhibitory effectiveness.
References
Akhter F, Marufa SS, Shohag SA, Nishino H, Alam MS, Haque MA, Rahman MM. Synthesis, antimicrobial evaluation, ADMET prediction, molecular docking and dynamics studies of pyridine and thiophene moiety-containing chalcones. R. Soc. OpenSci. 2025;12(1):241411.
Arif R, Rana M, Yasmeen S, Khan MS, Abid M, Khan MS. Facile synthesis of chalcone derivatives as antibacterial agents. Synthesis, DNA binding, molecular docking, DFT and antioxidant studies.J.Mol.Struct.2020;1208:905.
Bansal RK. Hetero cyclic chemistry. 4th ed. New Delhi: Newage international Publishers ;2005; p.514-20.
Sondhi SM, Goyal RN, Lahoti AM, Singh N, Shukla R, Raghubir R. Synthesis and biological evaluation of 2-thiopyrimidine derivatives. Bioorg Med Chem. 2005;13(9):3185-95.
Sarkar A, Kumar KA, Dutta NK, Chakraborty P, Dastidar SG. Evaluation of in vitro and in vivo antibacterial activity of dobutamine hydrochloride. Indian J Med Microbiol, 2003;21(3):172-8.
A Ebraheem H. Synthesis of some Pyrimidine-2-one and Pyrimidine-2-thione Compounds. Raf J sci. 2013;24(1):120-7.
Palkar R B, Master H E. Synthesis of some new 6-amino-3-methoxyflavones. Ind. J. Chem. 2000; 39B:141-44.
Atiya RN, Salih NA, Adam RW. Preparation with Biological Study for Pyrimidine Derivatives from Chalcone. Int J Drug Deliv Technol. 2022;12(1):174-9.
Kumar S, Kumar A, Agrawal A, Sahu JK. Synthesis, in vivo biological assessment and molecular docking study of some newer indole derivatives as cox 1/2 inhibitors. J Mol Struct, 2021 15; 1230: 129831.
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Copyright (c) 2025 Narendra B Gowda, Nisarga Prakash M, Rachana M L

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