Synthesis, characterization, antimicrobial activity, and in silico assessment of a novel pyrazoline carboxamide heterocyclic compound
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, t...
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| Format: | Article |
| Language: | English |
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Bangladesh Pharmacological Society
2023-12-01
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| Series: | Bangladesh Journal of Pharmacology |
| Subjects: | |
| Online Access: | https://asiajol.info/index.php/BJP/article/view/69267 |
| _version_ | 1797372422620446720 |
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| author | Farouk Boudou Abdelghani Sehmi Amal Belakredar Oussama Zaoui |
| author_facet | Farouk Boudou Abdelghani Sehmi Amal Belakredar Oussama Zaoui |
| author_sort | Farouk Boudou |
| collection | DOAJ |
| description |
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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| first_indexed | 2024-03-08T18:35:33Z |
| format | Article |
| id | doaj.art-3c8971ca062d41c99cbf5c4a43239bfc |
| institution | Directory Open Access Journal |
| issn | 1991-0088 |
| language | English |
| last_indexed | 2024-03-08T18:35:33Z |
| publishDate | 2023-12-01 |
| publisher | Bangladesh Pharmacological Society |
| record_format | Article |
| series | Bangladesh Journal of Pharmacology |
| spelling | doaj.art-3c8971ca062d41c99cbf5c4a43239bfc2023-12-29T11:39:57ZengBangladesh Pharmacological SocietyBangladesh Journal of Pharmacology1991-00882023-12-01184Synthesis, characterization, antimicrobial activity, and in silico assessment of a novel pyrazoline carboxamide heterocyclic compoundFarouk Boudou0Abdelghani Sehmi1Amal Belakredar2Oussama Zaoui3Department of Biology, Faculty of Natural and Life Sciences, Djillali Liabes University of Sidi-Bel-Abbes, Sidi-Bel-Abbes 22000, Algeria.Department of Natural and Life Sciences, Faculty of Sciences and Technology, University of Tissemsilt, Tissemsilt 38000, Algeria.Department of Biology, Faculty of Natural and Life Sciences, Djillali Liabes University of Sidi-Bel-Abbes, Sidi-Bel-Abbes 22000, Algeria.Department of Chemistry Faculty of Science, Kasdi Merbah University, BP 511, Ouargla 30000, Algeria. 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. https://asiajol.info/index.php/BJP/article/view/69267Pyrazoline CarboxamideSynthesisCharacterizationAntimicrobial ActivityDruglikenessMolecular Docking |
| spellingShingle | Farouk Boudou Abdelghani Sehmi Amal Belakredar Oussama Zaoui Synthesis, characterization, antimicrobial activity, and in silico assessment of a novel pyrazoline carboxamide heterocyclic compound Bangladesh Journal of Pharmacology Pyrazoline Carboxamide Synthesis Characterization Antimicrobial Activity Druglikeness Molecular Docking |
| title | Synthesis, characterization, antimicrobial activity, and in silico assessment of a novel pyrazoline carboxamide heterocyclic compound |
| title_full | Synthesis, characterization, antimicrobial activity, and in silico assessment of a novel pyrazoline carboxamide heterocyclic compound |
| title_fullStr | Synthesis, characterization, antimicrobial activity, and in silico assessment of a novel pyrazoline carboxamide heterocyclic compound |
| title_full_unstemmed | Synthesis, characterization, antimicrobial activity, and in silico assessment of a novel pyrazoline carboxamide heterocyclic compound |
| title_short | Synthesis, characterization, antimicrobial activity, and in silico assessment of a novel pyrazoline carboxamide heterocyclic compound |
| title_sort | synthesis characterization antimicrobial activity and in silico assessment of a novel pyrazoline carboxamide heterocyclic compound |
| topic | Pyrazoline Carboxamide Synthesis Characterization Antimicrobial Activity Druglikeness Molecular Docking |
| url | https://asiajol.info/index.php/BJP/article/view/69267 |
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