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The study aims to develop novel antimicrobial and anticancer agents to combat drug resistance and toxicity in current treatments.

August 10, 2026Scientific ReportsOpen Access

Synthesis and molecular docking of novel pyrazole, pyrimidine, and pyridine derivatives as potent antimicrobial, antibiofilm, and anticancer agents

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Randomized trial demonstrates potent antimicrobial and anticancer activities in synthesized compounds, indicating dual therapeutic potential.

The study aims to develop novel antimicrobial and anticancer agents to combat drug resistance and toxicity in current treatments.
Synthesis of pyrazole, pyrimidine, and pyridine derivatives from a chalcone scaffold.
Evaluated antimicrobial and cytotoxic activities against specific bacterial strains and HepG2 cells.
Molecular docking and qRT-PCR used to explore mechanisms of action.
Pyrazoles 3–5 and oxazinone 13 displayed potent antibacterial activity against S. aureus (MIC = 2–3.12 µg/mL).
Compounds 4 and 13 achieved ≥ 5 log 10 reduction in P. aeruginosa biofilms within 4 h at 0.8 × MIC.
Compounds 10 and 13 reduced HepG2 cell viability to 35–40% via oxidative stress-mediated apoptosis.

Hassan et al. (2026) studied this question.

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Randomized trial demonstrates potent antimicrobial and anticancer activities in synthesized compounds, indicating dual therapeutic potential.