Using least angular regression to model the antibacterial potential of metronidazole complexes.
Sci Rep
; 11(1): 19295, 2021 09 29.
Article
en En
| MEDLINE
| ID: mdl-34588489
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 ([Formula see text], [Formula see text], [Formula see text], [Formula see text], [Formula see text], [Formula see text], [Formula see text], [Formula see text], [Formula see text] and [Formula see text]) 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.
Texto completo:
1
Colección:
01-internacional
Asunto principal:
Metronidazol
/
Modelos Químicos
Idioma:
En
Revista:
Sci Rep
Año:
2021
Tipo del documento:
Article
País de afiliación:
Pakistán