Using least angular regression to model the antibacterial potential of metronidazole complexes

Abstract Imidazole has anti-inflammatory, antituberculotic, antimicrobial, antimycotic, antiviral, and antitumor properties in the human body, to name a few. Metronidazole [1-(2-Hydroxyethyl)-2-methyl-5-nitroimidazole] is a widely used antiprotozoan and antibacterial medication. Using fourier transf...

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Autores principales:	Tahir Mehmood, Mudassir Iqbal, Bushra Rafique
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/ec2d8e3df7f64e27b858b4c602c34484
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spelling	oai:doaj.org-article:ec2d8e3df7f64e27b858b4c602c344842021-12-02T18:51:28ZUsing least angular regression to model the antibacterial potential of metronidazole complexes10.1038/s41598-021-97897-x2045-2322https://doaj.org/article/ec2d8e3df7f64e27b858b4c602c344842021-09-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-97897-xhttps://doaj.org/toc/2045-2322Abstract Imidazole has anti-inflammatory, antituberculotic, antimicrobial, antimycotic, antiviral, and antitumor properties in the human body, to name a few. Metronidazole [1-(2-Hydroxyethyl)-2-methyl-5-nitroimidazole] is a widely used antiprotozoan and antibacterial medication. Using fourier transform infrared spectroscopy, the current study models the antibacterial activity of already synthesised Metronidazole (MTZ) complexes ( $$MTZ-Benz$$ M T Z - B e n z , $$MTZ-Benz-Cu$$ M T Z - B e n z - C u , $$MTZ-Benz-Cu-Cl_2CHCOOH$$ M T Z - B e n z - C u - C l 2 C H C O O H , $$MTZ$$ MTZ , $$MTZ-Cu$$ M T Z - C u , $$MTZ-Cu-Cl_2CHCOOH$$ M T Z - C u - C l 2 C H C O O H , $$MTZ-Benz-Ag$$ M T Z - B e n z - A g , $$MTZ-Benz-Ag-Cl_2CHCOOH$$ M T Z - B e n z - A g - C l 2 C H C O O H , $$MTZ-Ag$$ M T Z - A g and $$MTZ-Ag-Cl_2CHCOOH$$ M T Z - A g - C l 2 C H C O O H ) against E. coli, B. bronceptica, S. epidermidis, B. pumilus and S. aureus. To characterise the Metronidazole complexes for antibacterial activity against 05 microbes, the least angular regression and least absolute shrinkage selection operators were used. Asymmetric Least Squares was used to correct the spectrum baseline. Least angular regression outperforms cross-validated root mean square error in the fitted models. Using Least angular regression, influential wavelengths that explain the variation in antibacterial activity of Metronidazole complexes were identified and mapped against functional groups.Tahir MehmoodMudassir IqbalBushra RafiqueNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-8 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Tahir Mehmood Mudassir Iqbal Bushra Rafique Using least angular regression to model the antibacterial potential of metronidazole complexes
description	Abstract Imidazole has anti-inflammatory, antituberculotic, antimicrobial, antimycotic, antiviral, and antitumor properties in the human body, to name a few. Metronidazole [1-(2-Hydroxyethyl)-2-methyl-5-nitroimidazole] is a widely used antiprotozoan and antibacterial medication. Using fourier transform infrared spectroscopy, the current study models the antibacterial activity of already synthesised Metronidazole (MTZ) complexes ( $$MTZ-Benz$$ M T Z - B e n z , $$MTZ-Benz-Cu$$ M T Z - B e n z - C u , $$MTZ-Benz-Cu-Cl_2CHCOOH$$ M T Z - B e n z - C u - C l 2 C H C O O H , $$MTZ$$ MTZ , $$MTZ-Cu$$ M T Z - C u , $$MTZ-Cu-Cl_2CHCOOH$$ M T Z - C u - C l 2 C H C O O H , $$MTZ-Benz-Ag$$ M T Z - B e n z - A g , $$MTZ-Benz-Ag-Cl_2CHCOOH$$ M T Z - B e n z - A g - C l 2 C H C O O H , $$MTZ-Ag$$ M T Z - A g and $$MTZ-Ag-Cl_2CHCOOH$$ M T Z - A g - C l 2 C H C O O H ) against E. coli, B. bronceptica, S. epidermidis, B. pumilus and S. aureus. To characterise the Metronidazole complexes for antibacterial activity against 05 microbes, the least angular regression and least absolute shrinkage selection operators were used. Asymmetric Least Squares was used to correct the spectrum baseline. Least angular regression outperforms cross-validated root mean square error in the fitted models. Using Least angular regression, influential wavelengths that explain the variation in antibacterial activity of Metronidazole complexes were identified and mapped against functional groups.
format	article
author	Tahir Mehmood Mudassir Iqbal Bushra Rafique
author_facet	Tahir Mehmood Mudassir Iqbal Bushra Rafique
author_sort	Tahir Mehmood
title	Using least angular regression to model the antibacterial potential of metronidazole complexes
title_short	Using least angular regression to model the antibacterial potential of metronidazole complexes
title_full	Using least angular regression to model the antibacterial potential of metronidazole complexes
title_fullStr	Using least angular regression to model the antibacterial potential of metronidazole complexes
title_full_unstemmed	Using least angular regression to model the antibacterial potential of metronidazole complexes
title_sort	using least angular regression to model the antibacterial potential of metronidazole complexes
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/ec2d8e3df7f64e27b858b4c602c34484
work_keys_str_mv	AT tahirmehmood usingleastangularregressiontomodeltheantibacterialpotentialofmetronidazolecomplexes AT mudassiriqbal usingleastangularregressiontomodeltheantibacterialpotentialofmetronidazolecomplexes AT bushrarafique usingleastangularregressiontomodeltheantibacterialpotentialofmetronidazolecomplexes
_version_	1718377420424216576

Using least angular regression to model the antibacterial potential of metronidazole complexes

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