Structure activity modeling of essential oils compounds and plant secondary metabolites: a Mini review of Antimicrobial Activity

Abstract

The increasing incidence of microorganisms becoming resistant to antibiotics has continuously become a scientific community concern. Many essential oil components and plant secondary metabolites are known to possess broad spectrum antimicrobial activity, including against antibiotic resistant bacteria. These compounds may be a useful source of new and novel antimicrobials. However, there is limited research on the structure-activity relationship (SAR) of essential oil compounds, which is important for a target identification and lead optimization. Quantitative Structure Activity Relationships (QSAR or SAR) have helped scientists to establish mathematical relationships between molecular structures and their biological activities. This study aimed to elucidate SARs of essential oil components from experimental and literature sources. Minimum Inhibitory Concentrations (MICs) of essential oil components were collected against Escherichia coli and Staphylococcus aureus and then compared to those published in literature for identify or predict the best model for describing the antibacterial activity of new biologically active agents in the plant.