March 3, 2026

Design, synthesis and antibacterial evaluation of piperazine urea–pyrazole-pyrimidine hybrids: in-vitro and in-silico studies

Key Points

Moderate antibacterial activity was found, particularly against E. faecium and S. aureus.
Derivatives U4 and U8 showed significant inhibition with a minimal inhibitory concentration of 100 µg/mL.
Molecular docking assessed binding interactions, highlighting hydrogen bonds and hydrophobic contacts.
The findings support the importance of substituent rigidity and electron-withdrawing properties in enhancing antibacterial potency.

Abstract

Several compounds displayed moderate antibacterial activity, with notable inhibition of E. faecium, including vancomycin-resistant strains. Derivatives bearing cyclopropyl (U4) and benzonitrile (U8) substituents exhibited significant activity against E. faecium and S. aureus (MIC = 100 µg/mL). Molecular docking revealed favorable binding through hydrogen bonding and hydrophobic contacts with key SHMT residues. This study identifies U4 and U8 as superior antibacterial candidates, suggesting rigid hydrophobic and electron-withdrawing substituents enhance antibacterial potency.

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Design, synthesis and antibacterial evaluation of piperazine urea–pyrazole-pyrimidine hybrids: in-vitro and in-silico studies

Key Points

Abstract

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