Physicochemical Properties, Antimicrobial and Insecticidal Activities of Carvacrol: In Vitro and In Silico Toxicity Studies
Article Sidebar
Main Article Content
Abstract
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.
Downloads
Article Details
This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.
References
Endale H, Mathewos M, Abdeta D. Potential Causes of Spread of Antimicrobial Resistance and Preventive Measures in One Health Perspective-A Review. Infect Drug Resist. 2023; 16:7515–7545.
Miller SA, Ferreira JP, LeJeune JT. Antimicrobial Use and Resistance in Plant Agriculture: A One Health Perspective. Agriculture. 2022; 12(2):289.
Elbouzidi A, Taibi M, El Hachlafi N, Haddou M, Jeddi M, Baraich A, Aouraghe A, Bellaouchi R, Mothana RA, Hawwal MF, Mesnard F, Hano C, Asehraou A, Chaabane K, El Guerrouj B, Addi M. Formulation of a Three-Component Essential Oil Mixture from Lavandula dentata, Rosmarinus officinalis, and Myrtus communis for Improved Antioxidant Activity. Pharmaceuticals. 2024; 17:1071.
Taibi M, Elbouzidi A, Haddou M, Baraich A, Ou-Yahia D, Bellaouchi R, Mothana RA, Al-Yousef HM, Asehraou A, Addi M, El Guerrouj B, Chaabane K. Evaluation of the Interaction between Carvacrol and Thymol, Major Compounds of Ptychotis verticillata Essential Oil: Antioxidant, Anti-Inflammatory and Anticancer Activities against Breast Cancer Lines. Life. 2024; 14:1037.
El Abdali Y, Jalte M, Agour A, Allali A, Chebaibi M, Bouia A. Chemical Composition, Free Radicals, Pathogenic Microbes, α-Amylase and α-Glucosidase Suppressant Properties of Essential Oil Derived from Moroccan Mentha pulegium L.: In Silico and In Vitro Approaches. J Biol Biomed Res. 2024; 1:46.
Chebaibi M, Mssillou I, Allali A, Bourhia M, Bousta D, Gonçalves RFB, Hoummani H, Aboul-Soud MAM, Augustyniak M, Giesy JP, Achour S. Antiviral Activities of Compounds Derived from Medicinal Plants against SARS-CoV-2 Based on Molecular Docking of Proteases. J Biol Biomed Res. 2024; 1(1):10–30.
Mączka W, Twardawska M, Grabarczyk M, Wińska K. Carvacrol—A Natural Phenolic Compound with Antimicrobial Properties. Antibiotics. 2023; 12:824.
Imran M, Aslam M, Alsagaby SA, Saeed F, Ahmad I, Afzaal M, Arshad MU, Abdelgawad MA, El-Ghorab AH, Khames A, Shariati MA, Ahmad A, Hussain M, Imran A, Islam S. Therapeutic Application of Carvacrol: A Comprehensive Review. Food Sci Nutr. 2022; 10:3544–3561.
Mansoori B, Mohammadi A, Doustvandi MA, Mohammadnejad F, Kamari F, Gjerstorff MF, Baradaran B, Hamblin MR. Photodynamic Therapy for Cancer: Role of Natural Products. Photodiagnosis Photodyn Ther. 2019; 26:395–404.
Banik S, Akter M, Bondad SEC, Saito T, Hosokawa T, Kurasaki M. Carvacrol Inhibits Cadmium Toxicity through Combating against Caspase Dependent/Independent Apoptosis in PC12 Cells. Food Chem Toxicol. 2019; 134:110835.
Arigesavan K and Sudhandiran G. Carvacrol Exhibits Antioxidant and Anti-Inflammatory Effects against 1, 2-Dimethyl Hydrazine Plus Dextran Sodium Sulfate Induced Inflammation Associated Carcinogenicity in the Colon of Fischer 344 Rats. Biochem Biophys Res Commun. 2015; 461:314–320.
Kim NH, Cho TJ, Rhee MS. Sodium Chloride Does Not Ensure Microbiological Safety of Foods: Cases and Solutions. 2027:1–47.
Allali A, Rezouki S, Lougraimzi H, Touati N, Eloutassi N, Fadli M. Agricultural Traditional Practices and Risks of Using Insecticides During Seed Storage in Morocco. Plant Cell Biotechnol Mol Biol. 2020; 21:29–37.
Allali A, Rezouki S, Louasté B, Bouchelta Y, El Kamli T, Eloutassi N, Fadli M. Study of the Nutritional Quality and Germination Capacity of Cicer arietinum Infested by Callosobruchus maculatus (Fab.). Plant Cell Biotechnol Mol Biol. 2020; 21:44–56.
Taibi M, Elbouzidi A, Ou-Yahia D, Dalli M, Bellaouchi R, Tikent A, Roubi M, Gseyra N, Asehraou A, Hano C, Addi M, El Guerrouj B, Chaabane K. Assessment of the Antioxidant and Antimicrobial Potential of Ptychotis verticillata Duby Essential Oil from Eastern Morocco: An In Vitro and In Silico Analysis. Antibiotics. 2023; 12:655.
Chebaibi M, Mssillou I, Allali A, Bourhia M, Bousta D, Boschi Gonçalves RF, Hoummani H, Aboul-Soud MA, Augustyniak M, Giesy JP, Achour S. Antiviral Activities of Compounds Derived from Medicinal Plants against SARS-CoV-2 Based on Molecular Docking of Proteases. J Biol Biomed Res. 2024; 1(1):10–30.
Mssillou I, Agour A, Lefrioui Y, Chebaibi M. LC-TOFMS analysis, in vitro and in silico antioxidant activity on NADPH oxidase, and toxicity assessment of an extract mixture based on Marrubium vulgare L. and Dittrichia viscosa L. J Biol Biomed Res. 2024; 1(1):31–45.
Amrati FE-Z, Chebaibi M, Galvao de Azevedo R, Conte R, Slighoua M, Mssillou I, Kiokias S, de Freitas Gomes A, Soares Pontes G, Bousta D. Phenolic Composition, Wound Healing, Antinociceptive, and Anticancer Effects of Caralluma europaea Extracts. Molecules. 2023; 28:1780.
Tourabi M, Nouioura G, Touijer H, Baghouz A, El Ghouizi A, Chebaibi M, Bakour M, Ousaaid D, Almaary KS, Nafidi H-A, Bourhia M, Khallouki F, Lyoussi B, Derwich E. Antioxidant, Antimicrobial, and Insecticidal Properties of Chemically Characterized Essential Oils Extracted from Mentha longifolia: In Vitro and In Silico Analysis. Plants. 2023; 12:3783.
Ghadan GB, Hafsa O, Maliki I, Bin Jardan YA, El Moussaoui A, Chebaibi M, Agour A, Zouirech O, Nafidi H-A, Khallouki F, Bourhia M, Taleb M. GC-MS Characterization, In Vitro Antioxidant, Antimicrobial, and In Silico NADPH Oxidase Inhibition Studies of Anvillea radiata Essential Oils. Horticulturae. 2022; 8:886.
Bouslamti M, Loukili EH, Elrherabi A, El Moussaoui A, Chebaibi M, Bencheikh N, Nafidi H-A, Bin Jardan YA, Bourhia M, Bnouham M, Lyoussi B, Benjelloun AS. Phenolic Profile, Inhibition of α-Amylase and α-Glucosidase Enzymes, and Antioxidant Properties of Solanum elaeagnifolium Cav. (Solanaceae): In Vitro and In Silico Investigations. Processes. 2023; 11:1384.
Boukhira S, Amrati FE-Z, Chebaibi M, Grafov A, Mothana RA, Al-Yousef HM, Bousta D. The chemical composition and the preservative, antimicrobial, and antioxidant effects of Thymus broussonetii Boiss. essential oil: an in vitro and in silico approach. Front Chem. 2024; 12:1402310.
Nazzaro F, Fratianni F, De Martino L , Coppola R, De Feo V. Effect of Essential Oils on Pathogenic Bacteria. Pharmaceuticals. 2023; 6:1451–1474.
Ben Arfa A, Combes S, Preziosi-Belloy L, Gontard N, Chalier P. Antimicrobial activity of carvacrol related to its chemical structure. Lett Appl Microbiol. 2006; 43:149–154.
Ultee A, Bennik MHJ, Moezelaar R. The Phenolic Hydroxyl Group of Carvacrol Is Essential for Action against the Food-Borne Pathogen Bacillus cereus. Appl Environ Microbiol. 2022; 68:1561–1568.
Niu C, Wang C, Yang Y, Chen R, Zhang J, Chen H, Zhuge Y, Li J, Cheng J, Xu K, Chu M, Ren C, Zhang C, Jia C. Carvacrol Induces Candida albicans Apoptosis Associated With Ca²⁺/Calcineurin Pathway. Front. Cell. Infect. Microbiol. 2020; 10:192.
Allali A, El Abdali Y, Rezouki S, El Moussaoui A, Bourhia M, Salamatullah AM, Alzahrani A, Alyahya HK, Albadr NA, Nafidi H, Ouahmane L, Fadli M. Chemical Composition and Antifungal, Insecticidal and Repellent Activity of Essential Oils From Origanum compactum Benth. Used in the Mediterranean Diet. Front Plant Sci. 2022; 13:798259.
Park J-H, Jeon Y-J, Lee C-H, Chung N, Lee H-S. Insecticidal toxicities of carvacrol and thymol derived from Thymus vulgaris Lin. against Pochazia shantungensis Chou & Lu., newly recorded pest. Sci Rep. 2017; 7:40902.
Liu J, Lin Y, Huang Y, Liu L, Cai X, Lin J, Shu B. The effects of carvacrol on development and gene expression profiles in Spodoptera frugiperda. Pestic Biochem Physiol. 2023; 195:105539.