article · Heliyon
This laboratory investigation identified the primary volatile compounds within parsley essential oil and evaluated its biological properties using laboratory tests and computer simulations. Chemical profiling established that apiol, myristicin, and 1-allyl-2,3,4,5-tetramethoxybenzene form the majority of the oil. Five complementary laboratory assays demonstrated strong antioxidant capabilities across radical scavenging and reducing power measurements. When tested against microbial targets, the oil exhibited both antibacterial and antifungal actions against five tested strains, including Gram-positive and Gram-negative bacteria as well as Candida albicans. Disc-diffusion assays produced inhibition zones exceeding fifteen millimetres, whilst dilution tests confirmed bactericidal and fungicidal effects, with the highest potency observed against Gram-positive bacteria. Computational modelling of pharmacokinetics and drug-likeness indicated favourable absorption, distribution, metabolism, excretion, and toxicity profiles for the primary chemical constituents, supporting the potential utility of the oil as a natural remedy.
Understanding the biological activities of plant extracts validates traditional medical practices and aids the discovery of botanical health agents. Demonstrating that parsley essential oil possesses both antioxidant properties and broad-spectrum antimicrobial actions against bacteria and fungi provides laboratory evidence for its biological efficacy. In addition, verifying favourable pharmacokinetic traits through computational modelling helps researchers assess whether these natural compounds are suitable candidates for therapeutic development.
The findings suggest potential applications for parsley essential oil as an active ingredient in natural remedies, antimicrobial formulations, or antioxidant products. Potential users include pharmaceutical developers and manufacturers of botanical treatments seeking natural alternatives to synthetic agents. However, this work remains early-stage research based exclusively on in vitro assays and computerised pharmacokinetic predictions, meaning extensive formulation, safety, and in vivo efficacy testing is required before practical use.
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This exploratory study aims to identify the volatile compounds in PC-Eo ( Petroselinum crispum L. essential oil) and evaluate its antioxidant and antimicrobial properties in vitro . Molecular docking, drug-likeness prediction, and pharmacokinetics (absorption, distribution, metabolism, excretion, and toxicity—ADMET) were among the in silico simulations that were used to explain the biological properties observed in vitro . For PC-Eo's chemical screening, gas chromatography-mass spectrophotometry (GC-MS) was employed. The antioxidant activity of PC-Eo was evaluated using five in vitro complementary techniques, including 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonate) (ABTS) radical scavenging activity, β-Carotene bleaching test (BCBT), reducing power (RP), and phosphomolybdenum assay (TAC). GC-MS analysis revealed that the primary components of PC-Eo are apiol (49.05%), Myristicin (21.01%), and 1-allyl-2,3,4,5-tetramethoxybenzene (13.14%). The results of the in vitro antioxidant assays indicate that PC-Eo exhibits a superior antioxidant profile. The in vitro antimicrobial activity of PC-Eo was assessed against five strains, including two gram-positive bacteria, two gram-negative bacteria, and one fungal strain ( Candida albicans ). The disc-diffusion assay revealed significant antibacterial and antifungal activities against all strains, with zones of inhibition exceeding 15 mm. The microdilution test highlighted the lowest MIC and MBC values with gram-positive bacteria, ranging from 0.25 to 0.5% v/v for MIC and 0.5 to 1.0% v/v for MBC. For the fungal strain, MIC was recorded at 1.25% and MFC at 2.5% v/v. PC-Eo demonstrates bactericidal and fungicidal activity based on the MBC/MIC and MFC/MIC ratios. According to the ADMET study, the primary PC-Eo compounds have advantageous pharmacokinetic characteristics. These findings provide empirical support for the traditional uses of this plant and indicate its possible use as a natural remedy.
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DOI: 10.1016/j.heliyon.2024.e29520
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