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

Abstract

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.