Relationship between chemical structure and biological activity of alkali metal o-, m- and p-anisates. FT-IR and microbiological studies

In this work we investigated relationship between molecular structure of alkali metal o-, m-, p-anisate molecules and their antimicrobial activity. For this purpose FT-IR spectra for lithium, sodium, potassium, rubidium and caesium anisates in solid state and solution were recorded, assigned and analysed. Microbial activity of studied compounds was tested against Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus and Proteus vulgaris. In order to evaluate the dependency between chemical structure and biological activity of alkali metal anisates the statistical analysis (multidimensional regression and principal component) was performed for selected wavenumbers from FT-IR spectra and parameters that describe microbial activity of anisates. The obtained statistical equations show the existence of correlation between molecular structure of anisates and their biological properties.

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► The relationship between molecular structure of Li, Na, K, Rb and Cs o-, m-, p-anisates and their antimicrobial activity was investigated.
► FT-IR spectra of anisates in solid state and solution were recorded.
► Microbial activity of these compounds was tested against selected bacteria by means of turbidimetry method.
► The application of the data from FT-IR spectra in the studies structure–activity relationship was tested.
► Highly significant and matched statistical models prove quantitative relationships between molecular structure of studied compounds and their biological activity.