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Synthesis and Antimicrobial Activity Screening of Piperazines Bearing N,N′-Bis(1,3,4-thiadiazole) Moiety as Probable Enoyl-ACP Reductase Inhibitors

A new N,N′-disubstituted piperazine conjugated with 1,3,4-thiadiazole and 1,2,4-triazole was prepared and the chemical structures were identified by IR, NMR and elemental analysis. All the prepared compounds were tested for their antimicrobial activity. The antimicrobial results indicated that the t...

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Autores principales: Omar, Alaa Z., Alshaye, Najla A., Mosa, Tawfik M., El-Sadany, Samir K., Hamed, Ezzat A., El-Atawy, Mohamed A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9228617/
https://www.ncbi.nlm.nih.gov/pubmed/35744824
http://dx.doi.org/10.3390/molecules27123698
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author Omar, Alaa Z.
Alshaye, Najla A.
Mosa, Tawfik M.
El-Sadany, Samir K.
Hamed, Ezzat A.
El-Atawy, Mohamed A.
author_facet Omar, Alaa Z.
Alshaye, Najla A.
Mosa, Tawfik M.
El-Sadany, Samir K.
Hamed, Ezzat A.
El-Atawy, Mohamed A.
author_sort Omar, Alaa Z.
collection PubMed
description A new N,N′-disubstituted piperazine conjugated with 1,3,4-thiadiazole and 1,2,4-triazole was prepared and the chemical structures were identified by IR, NMR and elemental analysis. All the prepared compounds were tested for their antimicrobial activity. The antimicrobial results indicated that the tested compounds showed significant antibacterial activity against gram-negative strains, especially E. coli, relative to gram-positive bacteria. Docking analysis was performed to support the biological results; binding modes with the active site of enoyl reductase amino acids from E. coli showed very good scores, ranging from −6.1090 to −9.6184 kcal/mol. Correlation analysis was performed for the inhibition zone (nm) and the docking score.
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spelling pubmed-92286172022-06-25 Synthesis and Antimicrobial Activity Screening of Piperazines Bearing N,N′-Bis(1,3,4-thiadiazole) Moiety as Probable Enoyl-ACP Reductase Inhibitors Omar, Alaa Z. Alshaye, Najla A. Mosa, Tawfik M. El-Sadany, Samir K. Hamed, Ezzat A. El-Atawy, Mohamed A. Molecules Article A new N,N′-disubstituted piperazine conjugated with 1,3,4-thiadiazole and 1,2,4-triazole was prepared and the chemical structures were identified by IR, NMR and elemental analysis. All the prepared compounds were tested for their antimicrobial activity. The antimicrobial results indicated that the tested compounds showed significant antibacterial activity against gram-negative strains, especially E. coli, relative to gram-positive bacteria. Docking analysis was performed to support the biological results; binding modes with the active site of enoyl reductase amino acids from E. coli showed very good scores, ranging from −6.1090 to −9.6184 kcal/mol. Correlation analysis was performed for the inhibition zone (nm) and the docking score. MDPI 2022-06-09 /pmc/articles/PMC9228617/ /pubmed/35744824 http://dx.doi.org/10.3390/molecules27123698 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
Omar, Alaa Z.
Alshaye, Najla A.
Mosa, Tawfik M.
El-Sadany, Samir K.
Hamed, Ezzat A.
El-Atawy, Mohamed A.
Synthesis and Antimicrobial Activity Screening of Piperazines Bearing N,N′-Bis(1,3,4-thiadiazole) Moiety as Probable Enoyl-ACP Reductase Inhibitors
title Synthesis and Antimicrobial Activity Screening of Piperazines Bearing N,N′-Bis(1,3,4-thiadiazole) Moiety as Probable Enoyl-ACP Reductase Inhibitors
title_full Synthesis and Antimicrobial Activity Screening of Piperazines Bearing N,N′-Bis(1,3,4-thiadiazole) Moiety as Probable Enoyl-ACP Reductase Inhibitors
title_fullStr Synthesis and Antimicrobial Activity Screening of Piperazines Bearing N,N′-Bis(1,3,4-thiadiazole) Moiety as Probable Enoyl-ACP Reductase Inhibitors
title_full_unstemmed Synthesis and Antimicrobial Activity Screening of Piperazines Bearing N,N′-Bis(1,3,4-thiadiazole) Moiety as Probable Enoyl-ACP Reductase Inhibitors
title_short Synthesis and Antimicrobial Activity Screening of Piperazines Bearing N,N′-Bis(1,3,4-thiadiazole) Moiety as Probable Enoyl-ACP Reductase Inhibitors
title_sort synthesis and antimicrobial activity screening of piperazines bearing n,n′-bis(1,3,4-thiadiazole) moiety as probable enoyl-acp reductase inhibitors
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9228617/
https://www.ncbi.nlm.nih.gov/pubmed/35744824
http://dx.doi.org/10.3390/molecules27123698
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