Physicochemical Properties, Antimicrobial and Insecticidal Activities of Carvacrol: In Vitro and In Silico Toxicity Studies

Carvacrol is a phenolic compound found in the essential oils of aromatic plants. Carvacrol is known for its numerous biological activities. This study aimed to evaluate the antimicrobial, and insecticidal properties of carvacrol in vitro and in silico. Antimicrobial activity was determined using broth microdilution method. Insecticidal activity was evaluated against adult Callosobruchus maculatus using the fumigant toxicity bioassay. In silico molecular docking against selected target proteins were done to theoretically assess carvacrol's potential antimicrobial and insecticidal activities. ADME/Toxicity prediction was also conducted. Carvacrol exhibited potent antimicrobial activity with minimum inhibitory concentrations (MICs) of 4.125% against Escherichia coli and Staphylococcus aureus, 2.06% against Listeria innocua and Pseudomonas aeruginosa, 2.06% against Aspergillus niger and Penicillium digitatum, and 4.125% against Candida glabrata. The minimum bactericidal concentration (MBC) ranged from 8.75 to 16.5%, while the minimum fungicidal concentration (MFC) was ≥ 33.00%. Carvacrol demonstrated notable insecticidal effect against adult Callosobruchus maculatus, resulting in 100% mortality at 20 μL/L of air after 12 hours of exposure. The ovicidal impact was significant, with complete inhibition of egg-laying at 20 μL/L of air. Carvacrol also completely inhibited adult emergence, confirming its toxicity against C. maculatus. In silico analysis revealed that carvacrol exhibited potent activity against E. coli, S. aureus, and A. niger with glide scores of -6.516, -4.905, and -5.321 kcal/mol, respectively. Carvacrol significantly inhibited acetylcholinesterase and chitin synthase, with glide scores of -6.747 and -5.442 kcal/mol, respectively. These results suggest that carvacrol is a promising natural alternative to synthetic pesticides and antimicrobial agents.