Integrated analysis of antimicrobial, antioxidant, and phytochemical properties of Cinnamomum verum: A comprehensive In vitro and In silico study

Abstract

This study aims to investigate the chemical composition, antibacterial, antifungal, and antioxidant properties of C. verum essential oil (EO). The antimicrobial potential of C. verum EO was examined against a range of Gram-positive and Gram-negative bacteria, molds, and yeasts, including Micrococcus luteus, Bacillus subtilis, Bacillus cereus, Escherichia coli, Klebsiella aerogenes, Salmonella enterica, Penicillium expansum, Candida albicans, and Candida tropicalis. The results revealed that C. verum EO exhibited significant broad-spectrum antimicrobial efficacy against all examined microorganisms, with inhibition zones ranging from 32.36 ± 2.42 to 13.9 ± 1.47 mm for bacteria and from 22.13 ± 2.25 to 15.26 ± 0.73 mm for fungi. Additionally, low values of minimum inhibitory concentration (MIC), minimum bactericidal concentration (MBC), and minimum fungicidal concentration (MFC) ranging from 0.031 to 1.0% (v/v) for bacteria and from 0.125 to 1.0% (v/v) for fungi were obtained. The MBC/MIC and MFC/MIC ratios demonstrated that C. verum EO could potentially have bactericidal and fungicidal effects on microbial cells. Furthermore, the study also revealed that C. verum EO exhibited remarkable antioxidant activities using three complementary methods, namely DPPH, ABTS, and FRAP assays. The gas chromatography–mass spectrometry (GC-MS) analysis of C. verum EO showed the presence of cinnamaldehyde dimethyl acetal (64.53%), cinnamic aldehyde (35.36%), and α-copaene (0.11%). In addition to the in vitro investigation, a computational analysis was carried out using molecular docking and ADMET analysis. The primary aim of the molecular docking study was to understand how the ligands interacted with the specific proteins involved in the biological activities under study. This analysis provided valuable information about the binding modes, affinities, and potential interactions between the ligands and the target proteins. On the other hand, the ADMET analysis focused on evaluating various pharmacokinetic properties of C. verum EO, shedding light on its absorption, distribution, metabolism, and other relevant characteristics. In conclusion, the findings of this study indicate that C. verum EO possesses significant antimicrobial and antioxidant properties, making it a valuable source of natural preservatives and antimicrobial and antioxidant agents for use in various food products and drugs.