AUTHOR=Nouioura Ghizlane , El fadili Mohamed , El Hachlafi Naoufal , Maache Souad , Mssillou Ibrahim , A. Abuelizz Hatem , Lafdil Fatima Zahra , Er-rahmani Sara , Lyoussi Badiaa , Derwich Elhoussine 

TITLE=Coriandrum sativum L., essential oil as a promising source of bioactive compounds with GC/MS, antioxidant, antimicrobial activities: in vitro and in silico predictions

JOURNAL=Frontiers in Chemistry

VOLUME=Volume 12 - 2024

YEAR=2024

URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2024.1369745

DOI=10.3389/fchem.2024.1369745

ISSN=2296-2646

ABSTRACT=<p><bold>Introduction:</bold><italic>Coriandrum sativum</italic> L. essential oil (CS-EO) is being evaluated <italic>in vitro</italic> for its antioxidant and antimicrobial properties, and its volatile compounds are to be identified as part of this exploratory study.</p><p><bold>Methods:</bold> The processes underlying the <italic>in vitro</italic> biological properties were explained using <italic>in silico</italic> simulations, including drug-likeness prediction, molecular docking, and pharmacokinetics (absorption, distribution, metabolism, excretion, and toxicity—ADMET). Chemical screening of CS-EO was conducted using gas chromatography-mass spectrometry (GC-MS). Five <italic>in vitro</italic> complementary techniques were used to assess the antioxidant activity of CS-EO: reducing power (RP), 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azinobis (3-ethylbenzothiazoline-6-sulfonate) (ABTS) radical scavenging activity, β-Carotene bleaching test (BCBT), and phosphomolybdenum assay (TAC).</p><p><bold>Results:</bold> According to GC-MS analysis, linalool (59.04%), γ-Terpinene (13.02%), and α-Pinene (6.83%) are the main constituents of CS-EO. Based on the <italic>in vitro</italic> antioxidant assay results, CS-EO has been found to have a superior antioxidant profile. Its estimated scavenging rates for ABTS<sup>+</sup> are 0.51 ± 0.04 mg/mL, BCBT is 9.02 ± 0.01 mg/mL, and CS-EO is 1.52 ± 0.14 mg/mL. <italic>C. sativum</italic> demonstrated 6.13 ± 0.00 μg/mL for reducing power and 213.44 ± 0.45 mg AAE/mL for total antioxidant activity. The <italic>in vitro</italic> antimicrobial activity of CS-EO was assessed against five strains, including two gram-positive bacteria, two gram-negative bacteria, and one fungal strain (<italic>Candida albicans</italic>). Significant antibacterial and antifungal activities against all strains were found using the disc-diffusion assay, with zones of inhibition larger than 15 mm. The microdilution test highlighted the lowest MIC and MBC values with gram-positive bacteria, ranging from 0.0612 to 0.125% v/v for MIC and 0.125% v/v for MBC. The fungal strain’s MFC was 1.0% v/v and its MIC was measured at 0.5%. Based on the MBC/MIC and MFC/MIC ratios, CS-EO exhibits bactericidal and fungicidal activity. The ADMET study indicates that the primary CS-EO compounds are good candidates for the development of pharmaceutical drugs due to their favorable pharmacokinetic properties.</p><p><bold>Conclusion:</bold> These results point to a potential application of this plant as a natural remedy and offer empirical backing for its traditional uses. It is a promising environmentally friendly preservative that can be used extensively in the food and agricultural industries to prevent aflatoxin contamination and fungal growth in stored goods.</p>