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Assessment of the Antioxidant and Antimicrobial Potential of Ptychotis verticillata Duby Essential Oil from Eastern Morocco: An In Vitro and In Silico Analysis

202343 citationsOpen accessMohamed I University

In plain language

Researchers analysed the chemical composition and therapeutic properties of essential oil extracted from Ptychotis verticillata, a medicinal plant native to Eastern Morocco locally known as Nunkha. Gas chromatography and mass spectrometry showed that the oil is primarily composed of carvacrol, D-limonene, gamma-terpinene, m-cymene, and thymol. Laboratory testing demonstrated that the oil possesses significant antioxidant capacity through free-radical scavenging and ferric reducing power. It also exhibited broad-spectrum antimicrobial activity, proving particularly effective against bacterial strains including Escherichia coli, Staphylococcus aureus, Listeria innocua, and Pseudomonas aeruginosa, whilst certain fungal species showed greater resilience. Computational evaluations further indicated favourable drug-likeness, pharmacokinetic behaviour, and potential safety profiles for the primary chemical constituents, providing scientific support for the traditional medicinal use of the plant.

Key takeaways

  • Ptychotis verticillata essential oil consists mainly of carvacrol, D-limonene, gamma-terpinene, m-cymene, and thymol.
  • The essential oil shows strong in vitro antioxidant activity in DPPH and FRAP laboratory assays.
  • The oil exhibits broad-spectrum antibacterial efficacy against common pathogens such as Escherichia coli and Staphylococcus aureus.
  • Computational analyses predict favourable drug-likeness and pharmacokinetic profiles for the identified chemical constituents.

Why it matters

Bacterial resistance and oxidative stress drive demand for new therapeutic agents derived from natural sources. By verifying the biological activity of a plant long used in Moroccan traditional medicine, this work provides scientific evidence for its antibacterial and antioxidant capabilities. These findings offer an initial foundation for identifying bioactive compounds that could inform future drug discovery and therapeutic interventions.

Commercialisation angle

This work points to prospective applications in pharmaceutical formulation, drug discovery, and natural antimicrobial development. The findings are relevant to pharmaceutical researchers and biotechnology development teams seeking active compounds against bacterial pathogens. However, the work sits at an early laboratory stage, having been verified only through in vitro assays and computer modelling, meaning substantial preclinical testing, in vivo validation, and safety trials remain necessary before commercial use.

AI-generated from the published abstract. Always read the original work before citing.

Abstract

Ptychotis verticillata Duby, referred to as Nûnkha in the local language, is a medicinal plant that is native to Morocco. This particular plant is a member of the Apiaceae family and has a longstanding history in traditional medicine and has been utilized for therapeutic purposes by practitioners for generations. The goal of this research is to uncover the phytochemical makeup of the essential oil extracted from P. verticillata, which is indigenous to the Touissite region in Eastern Morocco. The extraction of the essential oil of P. verticillata (PVEO) was accomplished through the use of hydro-distillation via a Clevenger apparatus. The chemical profile of the essential oil was then determined through analysis utilizing gas chromatography–mass spectrometry (GC/MS). The study findings indicated that the essential oil of P. verticillata is composed primarily of Carvacrol (37.05%), D-Limonene (22.97%), γ-Terpinene (15.97%), m-Cymene (12.14%) and Thymol (8.49%). The in vitro antioxidant potential of PVEO was evaluated using two methods: the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical trapping assay and the ferric reducing antioxidant power (FRAP) method. The data demonstrated considerable radical scavenging and relative antioxidative power. Escherichia coli, Staphylococcus aureus, Listeria innocua, and Pseudomonas aeruginosa were the most susceptible bacterial strains tested, while Geotrichum candidum, Candida albicans, and Rhodotorula glutinis were the most resilient fungi strains. PVEO had broad-spectrum antifungal and antibacterial properties. To elucidate the antioxidative and antibacterial characteristics of the identified molecules, we applied the methodology of molecular docking, a computational approach that forecasts the binding of a small molecule to a protein. Additionally, we utilized the Prediction of Activity Spectra for Substances (PASS) algorithm; Absorption, Distribution, Metabolism, and Excretion (ADME); and Pro-Tox II (to predict the toxicity in silico) tests to demonstrate PVEO’s identified compounds’ drug-likeness, pharmacokinetic properties, the anticipated safety features after ingestion, and the potential pharmacological activity. Finally, our findings scientifically confirm the ethnomedicinal usage and usefulness of this plant, which may be a promising source for future pharmaceutical development.

Research topics

  • Essential Oils and Antimicrobial Activity
  • Bee Products Chemical Analysis
  • Phytochemistry and Biological Activities

Read the original research

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DOI: 10.3390/antibiotics12040655

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