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<p>Heterocyclic structures play a pivotal role in the realm of medicinal chemistry. We synthesized amino acid derived 2-amino-1,3,4-oxadiazoles and 2-amino-1,3,4-thiadiazoles using Fmoc chemistry. All the synthesized compounds were characterized using NMR spectroscopy and mass spectrometry. Agar well diffusion assays revealed that compound <b>5f</b> exhibited the highest antibacterial activity against <i>E. coli</i> with a zone of inhibition of 10.20 ± 0.33&#xa0;mm, while <b>5e</b> was most effective against <i>Bacillus</i> sp. with a zone of inhibition of 9.70 ± 0.32&#xa0;mm. Streptomycin served as the positive control with the highest activity. Antifungal assay revealed <b>5a</b> was most effective against <i>Aspergillus sp.</i>, 8.25 ± 0.26&#xa0;mm and <i>Fusarium sp.</i>, 8.05 ± 0.25&#xa0;mm; other samples showed minimal activity, 6.00&#xa0;mm. The docking analysis was performed for all the synthesized compounds against the RAP protein of <i>Escherichia coli</i> and <i>Aspergillus niger</i> endoglucanase, which revealed potential antibacterial and antifungal activity. Compound <b>5e</b> showed the highest binding affinity (−9.7&#xa0;kcal/mol) and interacted with multiple amino acids, indicating a complex binding mechanism.</p>

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Synthesis, Antibacterial and Aantifungal Studies of 2-Amino-1,3,4-Oxadiazoles/Thiadiazoles Derived from Nα-Fmoc-Amino Acid Thiosemicarbazides

  • 期刊论文

  • 发表日期：

    2026年8月4日

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  • M. Ramya,
  • S. Chandrashekar,
  • D. R. Vishal Varman,
  • Kuruvalli Gouthami,
  • Vaddi Damodara Reddy,
  • G. Nagendra

摘要

Heterocyclic structures play a pivotal role in the realm of medicinal chemistry. We synthesized amino acid derived 2-amino-1,3,4-oxadiazoles and 2-amino-1,3,4-thiadiazoles using Fmoc chemistry. All the synthesized compounds were characterized using NMR spectroscopy and mass spectrometry. Agar well diffusion assays revealed that compound 5f exhibited the highest antibacterial activity against E. coli with a zone of inhibition of 10.20 ± 0.33 mm, while 5e was most effective against Bacillus sp. with a zone of inhibition of 9.70 ± 0.32 mm. Streptomycin served as the positive control with the highest activity. Antifungal assay revealed 5a was most effective against Aspergillus sp., 8.25 ± 0.26 mm and Fusarium sp., 8.05 ± 0.25 mm; other samples showed minimal activity, 6.00 mm. The docking analysis was performed for all the synthesized compounds against the RAP protein of Escherichia coli and Aspergillus niger endoglucanase, which revealed potential antibacterial and antifungal activity. Compound 5e showed the highest binding affinity (−9.7 kcal/mol) and interacted with multiple amino acids, indicating a complex binding mechanism.