Regioselective One-Pot Synthesis, Biological Activity and Molecular Docking Studies of Novel Conjugates N-(p-Aryltriazolyl)-1,5-benzodiazepin-2-ones as Potent Antibacterial and Antifungal Agents

Novel 1,2,3-triazolo-linked-1,5-benzodiazepinones were designed and synthesized via a Cu(I)-catalyzed 1,3-dipolar alkyne-azide coupling reaction (CuAAC). The chemical structures of these compounds were confirmed by (1)H NMR, (13)C NMR, HMBC, HRMS, and elemental analysis. The compounds were screened...

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Autores principales: Nsira, Asma, Mtiraoui, Hasan, Chniti, Sami, Al-Ghulikah, Hanan, Gharbi, Rafik, Msaddek, Moncef
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9268147/
https://www.ncbi.nlm.nih.gov/pubmed/35807263
http://dx.doi.org/10.3390/molecules27134015
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author Nsira, Asma
Mtiraoui, Hasan
Chniti, Sami
Al-Ghulikah, Hanan
Gharbi, Rafik
Msaddek, Moncef
author_facet Nsira, Asma
Mtiraoui, Hasan
Chniti, Sami
Al-Ghulikah, Hanan
Gharbi, Rafik
Msaddek, Moncef
author_sort Nsira, Asma
collection PubMed
description Novel 1,2,3-triazolo-linked-1,5-benzodiazepinones were designed and synthesized via a Cu(I)-catalyzed 1,3-dipolar alkyne-azide coupling reaction (CuAAC). The chemical structures of these compounds were confirmed by (1)H NMR, (13)C NMR, HMBC, HRMS, and elemental analysis. The compounds were screened for their in vitro antibacterial and antifungal activities. Several compounds exhibited good to moderate activities compared to those of established standard drugs. Furthermore, the binding interactions of these active analogs were confirmed through molecular docking.
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spelling pubmed-92681472022-07-09 Regioselective One-Pot Synthesis, Biological Activity and Molecular Docking Studies of Novel Conjugates N-(p-Aryltriazolyl)-1,5-benzodiazepin-2-ones as Potent Antibacterial and Antifungal Agents Nsira, Asma Mtiraoui, Hasan Chniti, Sami Al-Ghulikah, Hanan Gharbi, Rafik Msaddek, Moncef Molecules Article Novel 1,2,3-triazolo-linked-1,5-benzodiazepinones were designed and synthesized via a Cu(I)-catalyzed 1,3-dipolar alkyne-azide coupling reaction (CuAAC). The chemical structures of these compounds were confirmed by (1)H NMR, (13)C NMR, HMBC, HRMS, and elemental analysis. The compounds were screened for their in vitro antibacterial and antifungal activities. Several compounds exhibited good to moderate activities compared to those of established standard drugs. Furthermore, the binding interactions of these active analogs were confirmed through molecular docking. MDPI 2022-06-22 /pmc/articles/PMC9268147/ /pubmed/35807263 http://dx.doi.org/10.3390/molecules27134015 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Nsira, Asma
Mtiraoui, Hasan
Chniti, Sami
Al-Ghulikah, Hanan
Gharbi, Rafik
Msaddek, Moncef
Regioselective One-Pot Synthesis, Biological Activity and Molecular Docking Studies of Novel Conjugates N-(p-Aryltriazolyl)-1,5-benzodiazepin-2-ones as Potent Antibacterial and Antifungal Agents
title Regioselective One-Pot Synthesis, Biological Activity and Molecular Docking Studies of Novel Conjugates N-(p-Aryltriazolyl)-1,5-benzodiazepin-2-ones as Potent Antibacterial and Antifungal Agents
title_full Regioselective One-Pot Synthesis, Biological Activity and Molecular Docking Studies of Novel Conjugates N-(p-Aryltriazolyl)-1,5-benzodiazepin-2-ones as Potent Antibacterial and Antifungal Agents
title_fullStr Regioselective One-Pot Synthesis, Biological Activity and Molecular Docking Studies of Novel Conjugates N-(p-Aryltriazolyl)-1,5-benzodiazepin-2-ones as Potent Antibacterial and Antifungal Agents
title_full_unstemmed Regioselective One-Pot Synthesis, Biological Activity and Molecular Docking Studies of Novel Conjugates N-(p-Aryltriazolyl)-1,5-benzodiazepin-2-ones as Potent Antibacterial and Antifungal Agents
title_short Regioselective One-Pot Synthesis, Biological Activity and Molecular Docking Studies of Novel Conjugates N-(p-Aryltriazolyl)-1,5-benzodiazepin-2-ones as Potent Antibacterial and Antifungal Agents
title_sort regioselective one-pot synthesis, biological activity and molecular docking studies of novel conjugates n-(p-aryltriazolyl)-1,5-benzodiazepin-2-ones as potent antibacterial and antifungal agents
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9268147/
https://www.ncbi.nlm.nih.gov/pubmed/35807263
http://dx.doi.org/10.3390/molecules27134015
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