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Prospects of Essential Oils in Drug Discovery

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A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Natural Products".

Deadline for manuscript submissions: closed (31 August 2022) | Viewed by 20116

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Prof. Dr. Antonio Eduardo Miller Crotti

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Department of Chemistry, Faculty of Philosophy, Sciences, and Letters at Ribeirão Preto, University of São Paulo, Ribeirão Preto 14040-901, Brazil
Interests: natural products; organic synthesis; biological and pharmacological activities; mass spectrometry; structural elucidation; reaction mechanisms
Special Issues, Collections and Topics in MDPI journals

Prof. Dr. Eliane de Oliveira Silva

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Chemistry Institute, Department of Organic Chemistry, Federal University of Bahia, Salvador, Bahia 40170-115, Brazil
Interests: essential oils; natural products; biotransformation by fungi; medicinal chemistry; heterocyclic compounds

Special Issue Information

Dear Colleagues,

Plant-derived essential oils (EOs) have been used since ancient times and their antioxidant, antibacterial, antifungal activities have been recognized. However, despite the advances in recent decades on the use of EO in regular medicines, they are still considered as products to be used only in complementary and alternative medicine. The volatility and hydrophobicity are considered undesirable characteristics, leading EO to be often avoided in drug discovery. Nevertheless, nowadays, randomized controlled clinical trials have supported the efficacy of some EOs and some of their compounds thereof. The complexity of EOs can be highly attractive from the biological and pharmacological point of view because EOs exhibit a wide range of pharmacophores. Over the last decade, many studies have demonstrated decreased resistance of some microorganisms and parasites to EOs and their compounds. In silico, in vitro, and in vivo studies, as well as evaluation of selected physicochemical parameters used in conventional drug discovery, have proved that many EO components meet requirements for good drug candidates. This scenario has resulted in a renewed interest in these natural products. This Special Issue provides an overview of recent advances and outlook for the research on essential oils toward drug discovery. The topics covered by this issue include in silico, in vitro, and in vivo studies on the application of essential oils and compounds thereof that demonstrate the potential of EOs and their compounds thereof as drug candidates for the treatment of a wide range of diseases, including cancer, diabetes, cardiovascular, and neurodegenerative diseases. The antimicrobial, antiparasitic, antioxidant, anticancer, anti-inflammatory, and cytotoxic effects of essential oils and their major compounds, as well as their action mechanisms, will be also considered.

Prof. Dr. Antonio Eduardo Miller Crotti
Prof. Dr. Eliane De Oliviera Silva
Guest Editors

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Keywords

biological activities
drug discovery
essential oils
medicinal chemistry
monoterpenes
sesquiterpenes
phenylpropanoids

Published Papers (7 papers)

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Research

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14 pages, 1447 KiB

Open AccessArticle

Phytochemical Profiling, Antioxidant, Antimicrobial and Cholinesterase Inhibitory Effects of Essential Oils Isolated from the Leaves of Artemisia scoparia and Artemisia absinthium

by Farman Ali Khan, Nasir Mehmood Khan, Shujaat Ahmad, Nasruddin, Riffat Aziz, Ihsan Ullah, Mazen Almehmadi, Mamdouh Allahyani, Ahad Amer Alsaiari and Abdulelah Aljuaid

Pharmaceuticals 2022, 15(10), 1221; https://doi.org/10.3390/ph15101221 - 1 Oct 2022

Cited by 21 | Viewed by 3148

Abstract

The current studies were focused on the phytochemical profiling of two local wild Artemisia species, Artemisia scoparia and Artemisia absinthium leaves’ essential oils, extracted via the hydro distillation method along with evaluation of their antioxidant as well as antimicrobial effects. The constituents of EOs were identified using a combined gas chromatography-mass spectrometric (GC-MS) technique. A total of 25 compounds in A. scoparia essential oil (EOAS) were identified, and 14 compounds with percentage abundance of >1% were tabulated, the major being tocopherol derivatives (47.55%). A total of nine compounds in Artemisia absinthium essential oil (EOAA) were enlisted (% age > 1%), the majority being oleic acid derivatives (41.45%). Strong antioxidant effects were pronounced by the EOAS in DPPH (IC₅₀ = 285 ± 0.82 µg/mL) and in ABTS (IC₅₀ = 295 ± 0.32 µg/mL) free radical scavenging assays. Both the EOs remained potent in inhibiting the growth of bacterial species; Escherichia coli (55–70%) and Shigella flexneri (60–75%) however remained moderately effective against Bacillus subtilis as well as Staphylococcus aureus. Both EOAS and EOAA strongly inhibited the growth of the tested fungal species, especially Aspergillus species (up to 70%). The oils showed anti-cholinesterase potential by inhibiting both Acetylcholinesterase (AChE; IC₅₀ = 30 ± 0.04 µg/mL (EOAS), 32 ± 0.05 µg/mL (EOAA) and Butyrylcholinesterase (BChE; IC₅₀ = 34 ± 0.07 µg/mL (EOAS), 36 ± 0.03 µg/mL (EOAA). In conclusion, the essential oils of A. scoparia and A. absinthium are promising antioxidant, antimicrobial and anticholinergic agents with a different phytochemical composition herein reported for the first time. Full article

(This article belongs to the Special Issue Prospects of Essential Oils in Drug Discovery)

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17 pages, 4150 KiB

Open AccessArticle

Evaluation of the Cardiac Electrophysiological and Haemodynamic Effects of Elsholtzia ciliata Essential Oil on Swine

by Vilma Zigmantaitė, Eglė Jonušaitė, Ramunė Grigalevičiūtė, Audrius Kučinskas, Rimantas Treinys, Antanas Navalinskas, Vaidotas Žvikas, Valdas Jakštas, Lauryna Pudžiuvelytė, Jurga Bernatonienė, Regina Mačianskienė and Jonas Jurevičius

Pharmaceuticals 2022, 15(8), 982; https://doi.org/10.3390/ph15080982 - 10 Aug 2022

Cited by 2 | Viewed by 1935

Abstract

The demand for the development of novel medicines with few side effects and no proarrhythmic properties is increasing. Extensive research on herbal extracts has been conducted with the expectation that the compounds will exert precise effects without harmful side effects. Elsholtzia ciliata (Thunb.) Hyl. essential oil (EO) possesses antiarrhythmic properties similar to those of class 1B antiarrhythmics, such as prolonging myocardial activation of the QRS complex and shortening the QT interval. In this study, we determined the kinetic profile of EO phytocompounds and the effects of EO on heart electrical activity and arterial blood pressure. For this study, we chose to use local breed pigs that were anaesthetized. The effects of an intravenous bolus of EO on ECG parameters, arterial blood pressure, heart rate variability, and blood levels of haematological and biochemical parameters were registered and evaluated. Following an intravenous injection of a bolus, EO exerted a vasodilatory effect, resulting in significant reductions in arterial blood pressure. EO also increased the heart rate and altered ECG parameters. The bolus of EO prolonged the QRS complex, shortened the QT interval, and nonmonotonically altered the PQ interval. After the administration of a bolus of EO, the activity of the autonomic nervous system was altered. This study confirms that EO possesses similar properties to class 1B antiarrhythmics and exerts a hypotensive effect; it reduces arterial blood pressure possibly by modulating peripheral vascular resistance. Full article

(This article belongs to the Special Issue Prospects of Essential Oils in Drug Discovery)

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11 pages, 315 KiB

Open AccessArticle

Anticariogenic Activity of Three Essential Oils from Brazilian Piperaceae

by Êni S. Carvalho, Vanessa F. S. Ayres, Midiã R. Oliveira, Geone M. Corrêa, Renata Takeara, Anderson C. Guimarães, Mariana B. Santiago, Thaís A. S. Oliveira, Carlos H. G. Martins, Antônio E. M. Crotti and Eliane O. Silva

Pharmaceuticals 2022, 15(8), 972; https://doi.org/10.3390/ph15080972 - 6 Aug 2022

Viewed by 2493

Abstract

The current trend toward using natural food additives, cosmetics, and medicines has motivated industries to substitute synthetic compounds for natural products. Essential oils (EOs) from medicinal plants are a well-known source of chemical compounds that display several interesting biological activities, including antimicrobial action. In this study, we investigated the antibacterial activity of EOs extracted from three Piperaceae species collected in the Brazilian Amazon region against a representative panel of cariogenic bacteria. The minimum inhibitory concentration (MIC) of the essential oils extracted from Peperomia pellucida (PP-EO), Piper marginatum (PM-EO), and Piper callosum (PC-EO) was determined against Streptococcus mutans, S. mitis, S. sanguinis, S. salivarius, S. sobrinus, Enterococcus faecalis, and Lactobacillus casei by using the microplate microdilution method. PM-EO, PC-EO, and PP-EO displayed antibacterial activity against all the tested cariogenic bacteria. PM-EO displayed the best inhibitory activity, with MIC values ranging from 50 to 500 µg/mL. The lowest MIC values were obtained for PM-EO against S. mitis (MIC = 75 μg/mL), Lactobacillus casei (MIC = 50 μg/mL), and S. mutans (MIC = 50 μg/mL). Gas chromatography mass spectrometry (GC-MS) analysis allowed the chemical composition of all the EOs to be identified. The main constituents of PM-EO, PC-EO, and PP-EO were 3,4-(methylenedioxy)propiophenone, α-pinene, and dillapiole, respectively. Finally, the compounds that were exclusively detected in PM-EO are highlighted. Our results suggest that PM-EO may be used in products for treating dental caries and periodontal diseases. Full article

(This article belongs to the Special Issue Prospects of Essential Oils in Drug Discovery)

11 pages, 329 KiB

Open AccessArticle

Antibacterial, Antiparasitic, and Cytotoxic Activities of Chemical Characterized Essential Oil of Chrysopogon zizanioides Roots

by Thaís A. S. Oliveira, Tatiana M. Vieira, Viviane R. Esperandim, Carlos H. G. Martins, Lizandra G. Magalhães, Mayker L. D. Miranda and Antônio E. M. Crotti

Pharmaceuticals 2022, 15(8), 967; https://doi.org/10.3390/ph15080967 - 5 Aug 2022

Cited by 7 | Viewed by 2110

Abstract

This study aimed to investigate the chemical composition as well as the antibacterial, antiparasitic, and cytotoxic potentialities of the Brazilian Chrysopogon zizanioides root essential oil (CZ-EO) In addition, CZ-EO cytotoxicity to LLCMK₂ adherent epithelial cells was assessed. The major compounds identified in CZ-EO were khusimol (30.0 ± 0.3%), β-eudesmol (10.8 ± 0.3%), α-muurolene (6.0 ± 0.1%), and patchouli alcohol (5.6 ± 0.2%). CZ-EO displayed optimal antibacterial activity against Prevotella nigrescens, Fusobacterium nucleatum, Prevotella melaninogenica, and Aggregatibacter actinomycetemcomitans, with Minimum Inhibitory Concentration (MIC) values between 22 and 62.5 µg/mL and Minimum Bactericidal Concentration (MBC) values between 22 and 400 µg/mL. CZ-EO was highly active against the L. amazonensis promastigote and amastigote forms (IC₅₀ = 7.20 and 16.21 µg/mL, respectively) and the T. cruzi trypomastigote form (IC₅₀ = 11.2 µg/mL). Moreover, CZ-EO showed moderate cytotoxicity to LLCMK₂ cells, with CC₅₀ = 565.4 µg/mL. These results revealed an interesting in vitro selectivity of CZ-EO toward the L. amazonensis promastigote and amastigote forms (Selectivity Index, SI = 78.5 and 34.8, respectively) and the T. cruzi trypomastigote form (SI = 50.5) compared to LLCMK₂ cells. These results showed the promising potential of CZ-EO for developing new antimicrobial, antileishmanial, and antitrypanosomal drugs. Full article

(This article belongs to the Special Issue Prospects of Essential Oils in Drug Discovery)

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17 pages, 1901 KiB

Open AccessArticle

Neutrophil Immunomodulatory Activity of Farnesene, a Component of Artemisia dracunculus Essential Oils

by Igor A. Schepetkin, Gulmira Özek, Temel Özek, Liliya N. Kirpotina, Andrei I. Khlebnikov, Robyn A. Klein and Mark T. Quinn

Pharmaceuticals 2022, 15(5), 642; https://doi.org/10.3390/ph15050642 - 23 May 2022

Cited by 13 | Viewed by 2707

Abstract

Despite their reported therapeutic properties, not much is known about the immunomodulatory activity of essential oils present in Artemisia species. We isolated essential oils from the flowers and leaves of five Artemisia species: A. tridentata, A. ludoviciana, A. dracunculus, A. frigida, and A. cana. The chemical composition of the Artemisia essential oil samples had similarities and differences as compared to those previously reported in the literature. The main components of essential oils obtained from A. tridentata, A. ludoviciana, A. frigida, and A. cana were camphor (23.0–51.3%), 1,8-cineole (5.7–30.0%), camphene (1.6–7.7%), borneol (2.3–14.6%), artemisiole (1.2–7.5%), terpinen-4-ol (2.0–6.9%), α-pinene (0.8–3.9%), and santolinatriene (0.7–3.5%). Essential oils from A. dracunculus were enriched in methyl chavicol (38.8–42.9%), methyl eugenol (26.1–26.4%), terpinolene (5.5–8.8%), (E/Z)-β-ocimene (7.3–16.0%), β-phellandrene (1.3–2.2%), p-cymen-8-ol (0.9–2.3%), and xanthoxylin (1.2–2.2%). A comparison across species also demonstrated that some compounds were present in only one Artemisia species. Although Artemisia essential oils were weak activators of human neutrophils, they were relatively more potent in inhibiting subsequent neutrophil Ca²⁺ mobilization with N-formyl peptide receptor 1 (FPR1) agonist fMLF- and FPR2 agonist WKYMVM, with the most potent being essential oils from A. dracunculus. Further analysis of unique compounds found in A. dracunculus showed that farnesene, a compound with a similar hydrocarbon structure as lipoxin A₄, inhibited Ca²⁺ influx induced in human neutrophils by fMLF (IC₅₀ = 1.2 μM), WKYMVM (IC₅₀ = 1.4 μM), or interleukin 8 (IC₅₀ = 2.6 μM). Pretreatment with A. dracunculus essential oils and farnesene also inhibited human neutrophil chemotaxis induced by fMLF, suggesting these treatments down-regulated human neutrophil responses to inflammatory chemoattractants. Thus, our studies have identified farnesene as a potential anti-inflammatory modulator of human neutrophils. Full article

(This article belongs to the Special Issue Prospects of Essential Oils in Drug Discovery)

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20 pages, 2538 KiB

Open AccessArticle

Unassisted and Carbon Dioxide-Assisted Hydro- and Steam-Distillation: Modelling Kinetics, Energy Consumption and Chemical and Biological Activities of Volatile Oils

by Sara El-Kharraf, Soukaïna El-Guendouz, Farah Abdellah, El Mestafa El Hadrami, Alexandra M. Machado, Cláudia S. Tavares, Ana Cristina Figueiredo and Maria Graça Miguel

Pharmaceuticals 2022, 15(5), 567; https://doi.org/10.3390/ph15050567 - 1 May 2022

Cited by 4 | Viewed by 3309

Abstract

The demand for more suitable eco-friendly extraction processes has grown over the last few decades and driven research to develop efficient extraction processes with low energy consumption and low costs, but always assuring the quality of the volatile oils (VOs). The present study estimated the kinetic extraction and energy consumption of simultaneous hydro- and steam-distillation (SHSD), and SHSD assisted by carbon dioxide (SHSDACD), using an adopted modelling approach. The two isolation methods influenced the VOs yield, chemical composition and biological activities, namely, antioxidant, anti-glucosidase, anti-acetylcholinesterase and anti-inflammatory properties. SHSDACD provided higher VOs yields than the SHSD at a shorter extraction time: 2.8% at 30 min vs. 2.0% at 120 min, respectively, for Rosmarinus officinalis, 1.5% at 28 min vs. 1.2% at 100 min, respectively, for Lavandula angustifolia, and 1.7% at 20 min vs. 1.6% at 60 min, respectively, for Origanum compactum. The first order and sigmoid model fitted to SHSD and SHSDACD, respectively, with R² value at 96% and with mean square error (MSE) < 5%, where the k distillation rate constant of SHSDACD was fivefold higher and the energy consumption 10 times lower than the SHSD. The rosemary SHSD and SHSDACD VOs chemical composition were similar and dominated by 1,8-cineole (50% and 48%, respectively), and camphor (15% and 12%, respectively). However, the lavender and oregano SHSDACD VOs were richer in linalyl acetate and carvacrol, respectively, than the SHSD VOs. The SHSDACD VOs generally showed better capacity for scavenging the nitric oxide and superoxide anions free radicals as well as for inhibiting α-glucosidase, acetylcholinesterase, and lipoxygenase. Full article

(This article belongs to the Special Issue Prospects of Essential Oils in Drug Discovery)

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Review

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28 pages, 5351 KiB

Open AccessReview

Nanomedicine as an Emerging Technology to Foster Application of Essential Oils to Fight Cancer

by Khaled AbouAitah and Witold Lojkowski

Pharmaceuticals 2022, 15(7), 793; https://doi.org/10.3390/ph15070793 - 25 Jun 2022

Cited by 16 | Viewed by 2759

Abstract

Natural prodrugs extracted from plants are increasingly used in many sectors, including the pharmaceutical, cosmetic, and food industries. Among these prodrugs, essential oils (EOs) are of particular importance. These biologically active volatile oily liquids are produced by medicinal and aromatic plants and characterized by a distinctive odor. EOs possess high anticancer, antibacterial, antiviral, and antioxidant potential but often are associated with low stability; high volatility; and a high risk of deterioration with exposure to heat, humidity, light, or oxygen. Furthermore, their bioavailability is limited because they are not soluble in water, and enhancements are needed to increase their potential to target specific cells or tissues, as well as for controlled release. Nanomedicine, the application of nanotechnology in medicine, may offer efficient solutions to these problems. The technology is based on creating nanostructures in which the natural prodrug is connected to or encapsulated in nanoparticles or submicron-sized capsules that ensure their solubility in water and their targeting properties, as well as controlled delivery. The potential of EOs as anticancer prodrugs is considerable but not fully exploited. This review focusses on the recent progress towards the practical application of EOs in cancer therapy based on nanotechnology applications. Full article

(This article belongs to the Special Issue Prospects of Essential Oils in Drug Discovery)

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