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image of Design, Synthesis, Molecular Docking, and Biological Evaluation of 7-Phenyl-5-(thiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-diones as Antibacterial Agents

Abstract

Background

New antibacterial agents are urgently needed as bacterial diseases, especially urinary tract infections (UTIs), are becoming more common, and antibiotic resistance is increasing.

Aims

This study aimed to design, synthesize, and conduct molecular docking and biological evaluation of pyrido[2,3-]pyrimidine-2,4(1,3)-diones as antibacterial agents.

Methods

7-Phenyl-5-(thiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-diones were designed using an approach. The designed compounds were synthesized using reported procedures. Molecular docking studies were carried out using the Maestro 12.9 module of Schrodinger software. QikProp module of the Schrodinger suite was used for ADME evaluation of synthesized compounds. antibacterial activity of these compounds was assessed using the serial dilution method.

Results

Compounds MA-03 and MA-12 showed potent antibacterial activity with MIC values of 1.56, 3.125, 1.56, and 6.25 µg/ml and 1.56, 3.12, 6.25, and 3.12 µg/ml, respectively, against and using controls ciprofloxacin and amoxicillin (0.78, 0.39, 1.56 and 0.39 µg/ml and 0.78, 3.125, 3.125, and 1.56 µg/ml). All the synthesized compounds demonstrated higher binding affinities against bacterial proteins with reference to amoxicillin and ciprofloxacin.

Conclusion

All the compounds exhibited antibacterial activity against all the tested strains of bacteria with optimum ADME profile.

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2025-05-26
2025-09-13

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Design, Synthesis, Molecular Docking, and Biological Evaluation of 7-Phenyl-5-(thiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-diones as Antibacterial Agents
Bentham Science Publishers ; https://doi.org/10.2174/0115680266355090250407105802
/content/journals/ctmc/10.2174/0115680266355090250407105802
/content/journals/ctmc/10.2174/0115680266355090250407105802
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  • Article Type:     Research Article
Keywords: molecular docking ; ADME ; antibacterial ; pyrido[2,3-d]pyrimidine ; Synthesis

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