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<p>A new series of sixteen (Z)-2-(1-(4-chlorophenyl)cyclohexanecarboxamido)-N’-arylidenoacetohydrazide derivatives (<b>8a</b>–<b>8p</b>) were synthesized from a hydrazide intermediate <i>via</i> condensation with various substituted aromatic aldehydes. All compounds were confirmed using <sup>1</sup>H NMR, <sup>13</sup>C NMR, mass spectrometry, elemental analysis, and IR spectroscopy. To explore their antimicrobial potential, in silico molecular docking studies were performed against <i>Escherichia coli</i> Topoisomerase IV (PDB ID: 3FV5). The docking results revealed that compounds <b>6</b>,<b> 8d</b>,<b> 8g</b>, and <b>8m</b> exhibited the most favorable binding affinities, with significant interactions involving key active site residues such as ARG132, GLU46, and MET74. These lead molecules demonstrated interaction profiles comparable to the reference inhibitor 1EU, suggesting their potential as promising antibacterial scaffolds. The present study underscores the utility of cyclohexane-carboxamido hydrazide scaffolds for designing novel antimicrobial agents with enhanced binding and pharmacophoric features.</p>

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Design and study of cyclohexanecarboxamido hydrazones as promising antibacterial agents: structural characterization and molecular docking

  • 期刊论文

  • 发表日期：

    2026年1月5日

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  • Madhuri Pulagam,
  • Suribabu Pachipala,
  • Maheswara Rao Gokada,
  • Ravikumar Kapavarapu,
  • Hari Babu Bollikolla

摘要

A new series of sixteen (Z)-2-(1-(4-chlorophenyl)cyclohexanecarboxamido)-N’-arylidenoacetohydrazide derivatives (8a–8p) were synthesized from a hydrazide intermediate via condensation with various substituted aromatic aldehydes. All compounds were confirmed using 1H NMR, 13C NMR, mass spectrometry, elemental analysis, and IR spectroscopy. To explore their antimicrobial potential, in silico molecular docking studies were performed against Escherichia coli Topoisomerase IV (PDB ID: 3FV5). The docking results revealed that compounds 6, 8d, 8g, and 8m exhibited the most favorable binding affinities, with significant interactions involving key active site residues such as ARG132, GLU46, and MET74. These lead molecules demonstrated interaction profiles comparable to the reference inhibitor 1EU, suggesting their potential as promising antibacterial scaffolds. The present study underscores the utility of cyclohexane-carboxamido hydrazide scaffolds for designing novel antimicrobial agents with enhanced binding and pharmacophoric features.