Synthesis, characterization, antimicrobial activity, and in silico assessment of a novel pyrazoline carboxamide heterocyclic compound


  • Farouk Boudou Department of Biology, Faculty of Natural and Life Sciences, Djillali Liabes University of Sidi-Bel-Abbes, Sidi-Bel-Abbes 22000, Algeria.
  • Abdelghani Sehmi Department of Natural and Life Sciences, Faculty of Sciences and Technology, University of Tissemsilt, Tissemsilt 38000, Algeria.
  • Amal Belakredar Department of Biology, Faculty of Natural and Life Sciences, Djillali Liabes University of Sidi-Bel-Abbes, Sidi-Bel-Abbes 22000, Algeria.
  • Oussama Zaoui Department of Chemistry Faculty of Science, Kasdi Merbah University, BP 511, Ouargla 30000, Algeria.



Pyrazoline Carboxamide, Synthesis, Characterization, Antimicrobial Activity, Druglikeness, Molecular Docking, Molecular Dynamics, Drug Development


This study presents the synthesis, characterization, and antimicrobial efficacy of a novel pyrazoline carboxamide heterocyclic compound. Synthesized through a two-step process, involving the formation of an α,β-unsaturated ketone and subsequent conversion into a pyrazoline carboxamide derivative, the compound's structure and functional groups were confirmed using FT-IR, 1H NMR, and DEPT-135 techniques. The compound demonstrated high purity and yield, displaying significant inhibitory zones against micro-organisms, notably Listeria monocytogenes (14.2 ± 0.0 mm to 16.8 ± 1.3 mm) and Candida albicans (10.9 ± 0.6 mm to 17.8 ± 1.5 mm). Evaluation of drug-likeness and toxicity highlighted its potential for drug development. Molecular dock-ing studies indicated strong binding affinities to key antimicrobial target proteins, including DNA gyrase, penicillin-binding protein, and C. albicans sterol 14-α-demethylase. Molecular dynamics simulations revealed the com-pound's structural flexibility. These results make this new compound a candidate for further exploration in drug development, highlighting its potential therapeutic applications.


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How to Cite

Boudou, F., A. . Sehmi, A. Belakredar, and O. . Zaoui. “Synthesis, Characterization, Antimicrobial Activity, and in Silico Assessment of a Novel Pyrazoline Carboxamide Heterocyclic Compound”. Bangladesh Journal of Pharmacology, vol. 18, no. 4, Dec. 2023, pp. 152-61, doi:10.3329/bjp.v18i4.69267.



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