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Essential Oils and Their Derivatives: Characterization, Biological Activity and Application
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Essential Oils and Their Derivatives: Characterization, Biological Activity and Application

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Natural Products Chemistry".

Deadline for manuscript submissions: 30 November 2026 | Viewed by 2044

Editor

Dr. Noura Ahmed

E-Mail Website
Guest Editor
School of Science, Mathematics and Engineering, Salt Lake Community College, Taylorsville, UT, USA
Interests: natural products; essential oils; medicinal chemistry; drug discovery; biological activities; novel bioactive compounds; structure elucidation; preclinical research
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue will examine various aspects of essential oils and their derivatives, focusing on their chemical composition, biological activities, and practical applications. Sourced from different aromatic plants, essential oils possess a broad range of therapeutic properties. The goal in creating this issue is to compile innovative research that investigates the chemical profiles of these oils, including extraction methods, purification processes, and advanced analytical techniques for their characterization. Additionally, this issue will highlight the in vitro and in vivo biological activities of essential oils, such as their antidiabetic, hypolipidemic, antioxidant, anti-inflammatory, antitumor, anticonvulsant, antidepressant, antinociceptive, and antibiotic effects. Contributions may also explore the mechanisms behind these biological effects and their significance for health and disease treatment. While phytochemical research on medicinal plants has historically led to the discovery of many therapeutic compounds, these plants remain crucial sources for new drug development. Their compounds also serve as promising starting points for synthetic modifications aimed at creating more potent therapeutics.

Besides characterization and biological properties, this issue will explore the practical uses of essential oils across various industries, including pharmaceuticals, food preservation, aromatherapy, and cosmetics. Other relevant topics include new properties of bioactive compounds from aromatic plants; mechanistic insights; structure–function relationships; synergistic interactions with other substances; the safety and potential toxicity of natural aromatic compounds; biosynthesis pathways and enzymes involved; and bioavailability, stability, and innovative delivery systems. Researchers are encouraged to submit original research articles and review papers that contribute to this comprehensive theme, advancing the field of natural products and their diverse applications.

Dr. Noura Ahmed
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-anonymized peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • essential oils
  • aromatic plants
  • natural products
  • bioactive compounds
  • biological activities
  • pharmacology of volatiles
  • structure elucidation
  • isolation techniques

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Published Papers (2 papers)

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Research

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39 pages, 4399 KB  
Article
Integrated Chemical, In Silico, and Functional Neurobehavioral Evaluation of Three Essential Oils in Acute Anxiety- and Depression-Related Mouse Models
by Marilú Roxana Soto-Vásquez, Paul Alan Arkin Alvarado-García, Demetrio Rafael Jara-Aguilar, José Gilberto Gavidia-Valencia, Segundo Guillermo Ruiz-Reyes and Roger Antonio Rengifo-Penadillos
Molecules 2026, 31(13), 2378; https://doi.org/10.3390/molecules31132378 - 6 Jul 2026
Abstract
Essential oils are multicomponent natural products with potential neurobehavioral activity, but integrated comparative studies remain limited. This study compared the essential oils of Satureja brevicalyx, Peperomia dolabriformis, and Rosmarinus officinalis in relation to their chemical profiles, predicted target interactions, preliminary acute [...] Read more.
Essential oils are multicomponent natural products with potential neurobehavioral activity, but integrated comparative studies remain limited. This study compared the essential oils of Satureja brevicalyx, Peperomia dolabriformis, and Rosmarinus officinalis in relation to their chemical profiles, predicted target interactions, preliminary acute oral safety, anxiolytic-like and antidepressant-like effects, antagonist-sensitive behavioral patterns, and exploratory serum biomarkers. Oils were characterized by GC-MS, and their constituents were screened by molecular docking against anxiety-, depression-, sleep-, and stress-related targets. Independent cohorts of male BALB/c mice received oral essential oils (25–100 mg/kg) and were assessed in anxiety-related, depression-related, and locomotor behavioral paradigms, including the elevated plus maze, light–dark box, marble burying, tail suspension, forced swim, and open field tests. Flumazenil and WAY-100635 were used to examine whether the behavioral responses were sensitive to γ-aminobutyric acid type A (GABA-A)/benzodiazepine- and serotonin 1A (5-HT1A)-related pharmacological modulation, respectively. In a preliminary 24-h acute oral toxicity screen, no mortality was observed up to 5000 mg/kg. The three oils produced anxiolytic-like and antidepressant-like effects without reducing spontaneous locomotor activity. Within its experimental block, S. brevicalyx showed the most consistent flumazenil-sensitive anxiolytic-like pattern and FDR-significant reductions in corticosterone and TNF-α, together with increased IL-4. P. dolabriformis showed a broader predicted multitarget docking profile and antagonist-sensitive behavioral attenuation compatible with mixed pathway participation. R. officinalis produced significant but more moderate behavioral effects. WAY-100635 partially attenuated the antidepressant-like effects of all three oils. These findings support differentiated but convergent functional neurobehavioral profiles among the oils. The docking, antagonist, and biomarker results should be interpreted as hypothesis-generating evidence of possible pathway involvement, supporting further validation in chronic stress models, receptor-specific assays, pharmacokinetic studies, and expanded safety evaluations. Full article
(This article belongs to the Special Issue Essential Oils and Their Derivatives: Characterization, Biological Activity and Application)
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Review

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44 pages, 1543 KB  
Review
Carvone-Rich Essential Oils and Their Agrobiological Interactions: A Review
by Agnieszka Krajewska, Grace Azeez, Asgar Ebadollahi, Danuta Kalemba and Agnieszka Synowiec
Molecules 2026, 31(4), 579; https://doi.org/10.3390/molecules31040579 - 7 Feb 2026
Viewed by 1219
Abstract
Carvone-rich essential oils (EOs), and carvone specifically, exhibit a broad spectrum of protective effects against major agricultural threats. They display strong antifungal and moderate antibacterial effects, effectively inhibiting numerous phytopathogenic fungi. EOs exhibit significant insecticidal, acaricidal, and repellent activity against various insects and [...] Read more.
Carvone-rich essential oils (EOs), and carvone specifically, exhibit a broad spectrum of protective effects against major agricultural threats. They display strong antifungal and moderate antibacterial effects, effectively inhibiting numerous phytopathogenic fungi. EOs exhibit significant insecticidal, acaricidal, and repellent activity against various insects and mites, and some EOs are highly effective against agricultural nematodes, suppressing mobility and egg hatching. Crucially, the EOs demonstrate a strong capacity to suppress the germination and initial growth of different weed species, highlighting their viability as natural herbicides. This review analyzes the chemical composition, biological effects, and potential agricultural applications of carvone and carvone-rich essential oils, primarily sourced from Mentha spicata (Lamiaceae), Carum carvi (Apiaceae), and Anethum graveolens (Apiaceae). The biological activity of these EOs is significantly influenced by their specific composition, which varies among plant species and chemotypes. While EOs’ inherent volatility limits direct field application, this challenge is being successfully addressed by innovative formulation technologies, such as nanoemulsification and encapsulation, which enhance stability, bioavailability, and targeted delivery. In conclusion, carvone-rich EOs offer effective, environmentally low-risk agents for the integrated management of pathogens, pests, and weeds in sustainable agriculture. They help reduce reliance on synthetic chemicals and minimize the potential for resistance development. Full article
(This article belongs to the Special Issue Essential Oils and Their Derivatives: Characterization, Biological Activity and Application)
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