Grafting of multiwalled carbon nanotubes with pyrazole derivatives: characterization, antimicrobial activity and molecular docking study

Nadia Hanafy Metwally,1 Gamal Riad Saad,1 Esraa Azmy Abd El-Wahab21Chemistry Department, Faculty of Science, Cairo University, Giza, Egypt; 2Department of Engineering Mathematics and Physics, Faculty of Engineering Shoubra, Benha UniversityCorrespondence: Nadia Hanafy MetwallyChemistry Department, F...

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Autores principales:	Metwally NH, Saad GR, Abd El-Wahab EA
Formato:	article
Lenguaje:	EN
Publicado:	Dove Medical Press 2019
Materias:	Carbon nanotubes pyarzoles pyrazolones grafting antimicrobial activity Zeta-potential molecular docking study Medicine (General) R5-920
Acceso en línea:	https://doaj.org/article/c93033fb993944d0a3defee6c7962f71
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spelling	oai:doaj.org-article:c93033fb993944d0a3defee6c7962f712021-12-02T11:54:04ZGrafting of multiwalled carbon nanotubes with pyrazole derivatives: characterization, antimicrobial activity and molecular docking study1178-2013https://doaj.org/article/c93033fb993944d0a3defee6c7962f712019-08-01T00:00:00Zhttps://www.dovepress.com/grafting-of-multiwalled-carbon-nanotubes-with-pyrazole-derivatives-cha-peer-reviewed-article-IJNhttps://doaj.org/toc/1178-2013Nadia Hanafy Metwally,1 Gamal Riad Saad,1 Esraa Azmy Abd El-Wahab21Chemistry Department, Faculty of Science, Cairo University, Giza, Egypt; 2Department of Engineering Mathematics and Physics, Faculty of Engineering Shoubra, Benha UniversityCorrespondence: Nadia Hanafy MetwallyChemistry Department, Faculty of Science, Cairo University, Giza 12613, EgyptEmail nhmmohamed@yahoo.comIntroduction: It is well known that the grafted multiwalled carbon nanotubes (MWCNTs) have antibacterial activity and lower cytotoxicity. Moreover, pyrazole derivatives have a broad spectrum of biological activity due to their fertile template for many medicinal drugs. On view of these findings we report herein the hybridization between MWCNTs and some pyrazole derivatives as antibacterial agents.Materials and methods: Pyrazole and pyrazolone derivatives were grafted onto the surface of carboxylated MWCNTs via the reaction of carboxylated MWCNTs and the diazonium salts of pyrazoles and pyrazolones using mixed acid treatment. The insertion of the pyrazole and pyrazolone moieties was characterized by Fourier transform infrared (FTIR) spectroscopy, energy dispersion spectroscopy, transmission electron microscopy, X-ray diffraction and thermogravimetric (TGA).Results: The results indicate that pyrazole and pyrazolone moieties successfully attached on carboxylated MWCNTs surface. The neat pyrazole and pyrazolone derivatives and their corresponding carbon nanotubes were tested against Staphylococcus aureus, Bacillus subtilus, Escherichia coli, and Candida albicans bacteria, and Aspergillusniger fungi. The results showed that the grafted carbon nanotubes of pyrazole and pyrazolone derivatives have better antimicrobial activity than the neat pyrazole and pyrazolone derivatives. The molecular docking studies were performed on the most potent antimicrobial compounds to investigate the existence of the interactions between the most active inhibitors and Farnesyl pyrophosphate synthase (FPPS).Conclusion: The surface of the carboxylated MWCNTs was successfully grafted with some pyrazole derivatives. The antibacterial activity was investigated for the newly synthesized compounds and indicated that the grafted MWCNTs have good antibacterial activity toward some pathogenic types of bacteria.Keywords: carbon nanotubes, pyrazoles, pyrazolones, grafting, antimicrobial activity, zeta-potential, molecular docking studyMetwally NHSaad GRAbd El-Wahab EADove Medical PressarticleCarbon nanotubespyarzolespyrazolonesgraftingantimicrobial activityZeta-potentialmolecular docking studyMedicine (General)R5-920ENInternational Journal of Nanomedicine, Vol Volume 14, Pp 6645-6659 (2019)
institution	DOAJ
collection	DOAJ
language	EN
topic	Carbon nanotubes pyarzoles pyrazolones grafting antimicrobial activity Zeta-potential molecular docking study Medicine (General) R5-920
spellingShingle	Carbon nanotubes pyarzoles pyrazolones grafting antimicrobial activity Zeta-potential molecular docking study Medicine (General) R5-920 Metwally NH Saad GR Abd El-Wahab EA Grafting of multiwalled carbon nanotubes with pyrazole derivatives: characterization, antimicrobial activity and molecular docking study
description	Nadia Hanafy Metwally,1 Gamal Riad Saad,1 Esraa Azmy Abd El-Wahab21Chemistry Department, Faculty of Science, Cairo University, Giza, Egypt; 2Department of Engineering Mathematics and Physics, Faculty of Engineering Shoubra, Benha UniversityCorrespondence: Nadia Hanafy MetwallyChemistry Department, Faculty of Science, Cairo University, Giza 12613, EgyptEmail nhmmohamed@yahoo.comIntroduction: It is well known that the grafted multiwalled carbon nanotubes (MWCNTs) have antibacterial activity and lower cytotoxicity. Moreover, pyrazole derivatives have a broad spectrum of biological activity due to their fertile template for many medicinal drugs. On view of these findings we report herein the hybridization between MWCNTs and some pyrazole derivatives as antibacterial agents.Materials and methods: Pyrazole and pyrazolone derivatives were grafted onto the surface of carboxylated MWCNTs via the reaction of carboxylated MWCNTs and the diazonium salts of pyrazoles and pyrazolones using mixed acid treatment. The insertion of the pyrazole and pyrazolone moieties was characterized by Fourier transform infrared (FTIR) spectroscopy, energy dispersion spectroscopy, transmission electron microscopy, X-ray diffraction and thermogravimetric (TGA).Results: The results indicate that pyrazole and pyrazolone moieties successfully attached on carboxylated MWCNTs surface. The neat pyrazole and pyrazolone derivatives and their corresponding carbon nanotubes were tested against Staphylococcus aureus, Bacillus subtilus, Escherichia coli, and Candida albicans bacteria, and Aspergillusniger fungi. The results showed that the grafted carbon nanotubes of pyrazole and pyrazolone derivatives have better antimicrobial activity than the neat pyrazole and pyrazolone derivatives. The molecular docking studies were performed on the most potent antimicrobial compounds to investigate the existence of the interactions between the most active inhibitors and Farnesyl pyrophosphate synthase (FPPS).Conclusion: The surface of the carboxylated MWCNTs was successfully grafted with some pyrazole derivatives. The antibacterial activity was investigated for the newly synthesized compounds and indicated that the grafted MWCNTs have good antibacterial activity toward some pathogenic types of bacteria.Keywords: carbon nanotubes, pyrazoles, pyrazolones, grafting, antimicrobial activity, zeta-potential, molecular docking study
format	article
author	Metwally NH Saad GR Abd El-Wahab EA
author_facet	Metwally NH Saad GR Abd El-Wahab EA
author_sort	Metwally NH
title	Grafting of multiwalled carbon nanotubes with pyrazole derivatives: characterization, antimicrobial activity and molecular docking study
title_short	Grafting of multiwalled carbon nanotubes with pyrazole derivatives: characterization, antimicrobial activity and molecular docking study
title_full	Grafting of multiwalled carbon nanotubes with pyrazole derivatives: characterization, antimicrobial activity and molecular docking study
title_fullStr	Grafting of multiwalled carbon nanotubes with pyrazole derivatives: characterization, antimicrobial activity and molecular docking study
title_full_unstemmed	Grafting of multiwalled carbon nanotubes with pyrazole derivatives: characterization, antimicrobial activity and molecular docking study
title_sort	grafting of multiwalled carbon nanotubes with pyrazole derivatives: characterization, antimicrobial activity and molecular docking study
publisher	Dove Medical Press
publishDate	2019
url	https://doaj.org/article/c93033fb993944d0a3defee6c7962f71
work_keys_str_mv	AT metwallynh graftingofmultiwalledcarbonnanotubeswithpyrazolederivativescharacterizationantimicrobialactivityandmoleculardockingstudy AT saadgr graftingofmultiwalledcarbonnanotubeswithpyrazolederivativescharacterizationantimicrobialactivityandmoleculardockingstudy AT abdelwahabea graftingofmultiwalledcarbonnanotubeswithpyrazolederivativescharacterizationantimicrobialactivityandmoleculardockingstudy
_version_	1718394833908793344

Grafting of multiwalled carbon nanotubes with pyrazole derivatives: characterization, antimicrobial activity and molecular docking study

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