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

Deadline for manuscript submissions: closed (31 January 2025) | Viewed by 7541

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Dr. Andreas Tzakos

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Section of Organic Chemistry and Biochemistry, Department of Chemistry, University of Ioannina, 45110 Ioannina, Greece
Interests: drug development; theranostics; diagnostics; therapeutics; plant extracts
Special Issues, Collections and Topics in MDPI journals

Dr. Vlasios Goulas

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Department of Agricultural Sciences, Biotechnology and Food Science, Cyprus University of Technology, Lemesos 3603, Cyprus
Interests: natural products analysis; natural products processing
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Dear Colleagues,

Plants are widely used to ameliorate health disorders, prevent diseases, and conserve food. Plants are an inexhaustive reservoir of natural products with diverse biological activities offering treatment for several diseases. Pharmacotherapy is based on the extensive history of using plant extracts to treat a wide range of diseases. Investigating the therapeutic potential of plant extracts has proven to be a helpful and fruitful strategy in the search for possible pharmacological therapies. Numerous extracts obtained from diverse plants exhibit various potentially beneficial effects such as hepatoprotective, antitumoral, antioxidant, antimicrobial, antidiabetic, and anti-inflammatory traits, among others. The elucidation of the bioactive compositions of plant extracts is of great importance for both the standardization of the bioactivity of plant extracts and understanding their mechanisms of action.

This Special Issue will collect original research articles and review articles addressing recent advances in the extraction, identification, and biochemical evaluation of plant extracts. The in vitro, in vivo, and in silico biological effects of plant extracts will be also considered. Special attention will be paid to papers focusing on the discovery of new potential drugs and bioactive agents of plant origin. In addition, papers studying the utilization of bioactive plant extracts to develop innovative cosmetic and food formulations are strongly encouraged.

Dr. Andreas Tzakos
Dr. Vlasios Goulas
Guest Editors

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Keywords

plant extracts
natural products
antioxidant
antimicrobial
anti-inflammatory
biological activities

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Published Papers (10 papers)

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Research

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28 pages, 13304 KiB

Open AccessArticle

Comparative Evaluation of Cytotoxic and Apoptotic Effects of Natural Compounds in SH-SY5Y Neuroblastoma Cells in Relation to Their Physicochemical Properties

by Antonella Rosa, Federica Pollastro, Valeria Sogos and Franca Piras

Molecules 2025, 30(8), 1742; https://doi.org/10.3390/molecules30081742 - 13 Apr 2025

Viewed by 182

Abstract

The cytotoxic and apoptotic properties of four bioactive natural compounds, the prenylated α-pyronephloroglucinol heterodimer arzanol (ARZ), the methoxylated flavones eupatilin (EUP) and xanthomicrol (XAN), and the sesquiterpene zerumbone (ZER), were compared in SH-SY5Y human neuroblastoma cells to assess their potential as neuroblastoma-specific therapeutics. EUP, XAN, and ZER (2.5–100 μM) exerted marked significant cytotoxicity (MTT assay) and morphological changes after 24 h of incubation, following the order XAN > ZER > EUP > ARZ (no toxic effect). The propidium iodide fluorescence assay (PI, red fluorescence) and NucView^® 488 assay (NV, green fluorescence) evidenced a significant increase in the apoptotic cell number, vs. controls, in SH-SY5Y cells pre-incubated for 2 h with the compounds, in the following order of apoptotic potency: XAN > EUP > ZER > ARZ. The PubChem database and freely accessible web tools SwissADME, pkCSM-pharmacokinetics, and SwissTargetPrediction were used to assess the physicochemical/pharmacokinetic properties and potential protein targets of the compounds. At 50 μM, a positive correlation (r = 0.917) between values of % viability reduction and % human intestinal absorption (bioavailability) was observed, indicating a marked contribution of compound membrane permeability to cytotoxicity in SH-SY5Y cells. The capacity of compounds to induce apoptosis emerged as inversely correlated to the computed lipophilicity (r = −0.885). Full article

(This article belongs to the Special Issue Biological Activity of Plant Extracts)

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18 pages, 2422 KiB

Open AccessArticle

Opuntia stricta (Haw.) Fruit Pulp and Seeds as Source of Bioactive Phytochemicals with Promising Functional Properties

by Roberta Pino, Natale Badalamenti, Stefano Dall’Acqua, Rosa Tundis, Maurizio Bruno, Francesco Sottile, Stefania Sut and Monica Rosa Loizzo

Molecules 2025, 30(7), 1580; https://doi.org/10.3390/molecules30071580 - 1 Apr 2025

Viewed by 274

Abstract

In recent years, Opuntia stricta (Cactaceae family) has garnered considerable attention due to its promising nutritional and medicinal properties. This study aims to investigate the chemical composition and bioactivity of Sicilian Opuntia stricta fruit pulp and seeds. Liquid chromatography–mass spectrometry analysis revealed the presence of betalain derivatives, especially isobetanin and betanin, as the main pigments in the freeze-dried pulp and its hydroalcoholic extract. Other constituents, namely, piscidic acid, isorhamnetin-3-O-glucoside, and isorhamnetin-3-O-rutinoside, were identified. Linoleic acid (41.95%) was the main abundant fatty acid followed by palmitic acid (19.32%) in the seed’s fixed oil as analyzed by gas chromatography–mass spectrometry. The antioxidant activity was assessed using a multi-target approach using 2,2-azinobis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), 2,2-diphenyl-1-picrylhydrazyl (DPPH), ferric reducing antioxidant power assay (FRAP), and β-carotene bleaching tests. The ABTS test showed greater sensitivity to the action of the samples with significant half-maximal inhibitory concentrations (IC₅₀) of 13.24 and 14.82 mg/mL for the hydroalcoholic extract and the freeze-dried fruit pulp, respectively. Opuntia stricta’s extracts were also assessed for the carbohydrate-hydrolyzing enzyme and lipase inhibitory effect. The freeze-dried fruit pulp exhibited the highest effect against lipase (IC₅₀ of 33.54 μg/mL). Collectively, our results contribute to the characterization of this traditionally consumed Sicilian edible plant and suggest its use as a source of bioactive compounds useful for the prevention of obesity linked to hyperglycemia. Full article

(This article belongs to the Special Issue Biological Activity of Plant Extracts)

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12 pages, 2131 KiB

Open AccessArticle

Anti-Glycation Activities of Angelica keiskei Leaves

by Yuno Takemoto, Takashi Kikuchi, Wenjun Qi, Mi Zhang, Kouharu Otsuki and Wei Li

Molecules 2025, 30(6), 1394; https://doi.org/10.3390/molecules30061394 - 20 Mar 2025

Viewed by 328

Abstract

The screening of a small library of Japanese herbal tea extracts revealed significant anti-glycation activity in the leaves of Angelica keiskei. LC-MS analysis led to the identification of twenty compounds in this herb tea, including seven flavonoids, five phenylpropanoids, and eight coumarin derivatives, based on their chromatographic behavior and fragmentation patterns. Further LC-MS analysis of the methanol-eluted fraction after incubation with methylglyoxal (MGO) was performed on the reaction mixture, revealing quercetin 3-O-glucoside to be a key compound contributing to the anti-glycation activity of the leaves. Full article

(This article belongs to the Special Issue Biological Activity of Plant Extracts)

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12 pages, 2281 KiB

Open AccessFeature PaperArticle

Systemic Administration of the Phytochemical, Myricetin, Attenuates the Excitability of Rat Nociceptive Secondary Trigeminal Neurons

by Sana Yamaguchi, Risako Chida, Syogo Utugi, Yukito Sashide and Mamoru Takeda

Molecules 2025, 30(5), 1019; https://doi.org/10.3390/molecules30051019 - 23 Feb 2025

Viewed by 418

Abstract

While the modulation of the excitatory and inhibitory neuronal transmission by the phytochemical flavonoid, myricetin (MYR), has been noted in the nervous system, the way in which MYR affects the excitability of nociceptive sensory neurons in vivo remains to be established. This study aimed to explore whether administering MYR intravenously, in acute doses, to rats, diminishes the excitability of SpVc wide-dynamic range (WDR) spinal trigeminal nucleus caudalis (SpVc) neurons in response to nociceptive and non-nociceptive mechanical stimulation in vivo. Recordings of extracellular single units were obtained from SpVc neurons when orofacial mechanical stimulation was applied to anesthetized rats. The average firing rate of SpVc WDR neurons, to both non-noxious and noxious mechanical stimuli, was significantly and dose-dependently inhibited by MYR (1–5 mM, intravenously), and the maximum reversible inhibition of the discharge frequency, for both non-noxious and noxious mechanical stimuli, occurred within 5–10 min. The suppressive effects of MYR continued for about 20 min. These findings indicate that an acute, intravenous administration of MYR reduces the SpVc nociceptive transmission, likely through the inhibition of the CaV channels and by activating the Kv channels. Therefore, MYR might be utilized as a treatment for trigeminal nociceptive pain, without causing side effects. Full article

(This article belongs to the Special Issue Biological Activity of Plant Extracts)

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14 pages, 1208 KiB

Open AccessArticle

Evaluation of Bioactivity of Essential Oils: Cytotoxic/Genotoxic Effects on Colorectal Cancer Cell Lines, Antibacterial Activity, and Survival of Lactic Acid Bacteria

by Katarína Kozics, Monika Mesárošová, Monika Šramková, Mária Bučková, Andrea Puškárová, Dominika Galová and Domenico Pangallo

Molecules 2025, 30(4), 890; https://doi.org/10.3390/molecules30040890 - 14 Feb 2025

Viewed by 751

Abstract

Colorectal cancer (CRC) ranks among the most frequently diagnosed malignancies and is associated with a significantly high mortality rate. In recent years, increasing attention has been directed toward naturally derived substances with anticancer properties. In our study, we focused on determining the biological and antibacterial effects of selected essential oils (EOs)—peppermint, oregano, tea tree, lemon, lavender, frankincense, and oil blends (Zengest and OnGuard). Analyses were performed on human colon carcinoma cell lines (HCT-116 and HT-29). The cytotoxic (MTT assay), genotoxic effects (comet assay), and reactive oxygen species levels (ROS-Glo™ H₂O₂ Assay) of EOs and oil blends were determined. In our study, we found that all of the studied oils have the potential cyto/genotoxic effects on CRC cell lines after 24 h exposure. The results revealed that oregano, Zengest, and frankincense showed statistically the highest cytotoxic effects [IC₅₀ 0.05 µg/mL] compared to the other studied oils. These oils induced DNA damage and also increased ROS levels. On the other hand, peppermint was shown to have the lowest cytotoxic effect [IC₅₀ 0.67 µg/mL] on the HT-29 cell line. We also evaluated the antibacterial effects of oregano, tea tree, and the OnGuard blend, determining their impact on the viability of beneficial bacteria models, including Lacticaseibacillus rhamnosus, Lactiplantibacillus plantarum, Lacticaseibacillus paracasei, Lactobacillus brevis, Lactobacillus pentosus, and Weizmannia coagulans. Oregano exhibited strong antibacterial activity, with an inhibition zone of 31 mm, while tea tree and OnGuard showed inhibition zones ranging from 12 to 15 mm. The EOs (oregano, tea tree, OnGuard) demonstrated antibacterial effects, with MICs ranging from 0.05 to 0.5 µg/mL. Peppermint, lemon, lavender, frankincense, and the Zengest blend did not inhibit the growth of lactic acid bacteria or W. coagulans, and thus did not impact bacterial survival. On the other hand, they demonstrated potential anticancer effects. Full article

(This article belongs to the Special Issue Biological Activity of Plant Extracts)

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21 pages, 2855 KiB

Open AccessArticle

Bioactive Potential and Chemical Composition of Vitex agnus-castus L. Leaf Extracts Collected in Algeria: A Combined In Vitro and In Silico Approach

by Amina Bramki, Ghozlane Barboucha, Ouided Benslama, Anna Andolfi, Fatima Zohra Makhlouf, Maria Smati, Djamila Benouchenne, Mohamed Moussaoui, Chawki Bensouici, Alessio Cimmino, Jesús G. Zorrilla, Maria Michela Salvatore and Marco Masi

Molecules 2025, 30(3), 749; https://doi.org/10.3390/molecules30030749 - 6 Feb 2025

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Abstract

Vitex agnus-castus L., a medicinal plant widespread in the Middle East and Europe, is traditionally used to treat various disorders. In this study, extracts from its leaves, collected in Algeria, were evaluated for their antioxidant, enzymatic, and antibacterial activities through in vitro and in silico studies. The hydroalcoholic extract was fractionated using solvents of varying polarity to isolate bioactive compounds with potential biological effects. Notable levels of total phenolics, flavonoids, and flavonols were detected in the dichloromethane (CH₂Cl₂) and ethyl acetate (EtOAc) extracts. NMR and GC-MS were used to identify metabolites in the extracts, which were discussed in relation to their biological activities. Antioxidant assays showed that the EtOAc extract had a remarkable effect, particularly in the DPPH^• free radicals test (IC₅₀ = 15.68 ± 1.51 μg/mL), while enzymatic assays revealed that the dichloromethane extract moderately inhibited butyrylcholinesterase (IC₅₀ = 133.54 ± 1.45 μg/mL). Antibacterial assays showed that the extracts inhibited the growth of Staphylococcus aureus, Bacillus subtilis, and Escherichia coli strains, with the most significant effect observed for the n-hexane extract, especially against S. aureus and B. subtilis (respectively, 22.33 ± 0.47 and 18.33 ± 0.47 mm diameters). These outcomes were validated via molecular docking simulations on three DNA gyrase enzymes: 3G7E (from E. coli), 3G75 (from S. aureus), and 4DDQ (from B. subtilis), revealing that linolenic and palmitic acids, as well as phytol significantly interacted with these enzymes, showing varying binding affinities and suggesting antibacterial potential against the targeted species E. coli and S. aureus. These findings highlight the potential therapeutic use of V. agnus-castus leaves, encouraging further research into their applicability in the development of plant-derived drugs. Full article

(This article belongs to the Special Issue Biological Activity of Plant Extracts)

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14 pages, 713 KiB

Open AccessArticle

Chemical Profile and Biological Properties of Methanolic and Ethanolic Extracts from the Aerial Parts of Inula britannica L. Growing in Central Asia

by Aktolkyn K. Ibadullayeva, Martyna Kasela, Kaldanay K. Kozhanova, Gulnara M. Kadyrbayeva, Jarosław Widelski, Krzysztof Wojtanowski, Aleksandra Józefczyk, Katarzyna Suśniak, Piotr Okińczyc, Meruyert I. Tleubayeva, Aigerim A. Karaubayeva, Moldir A. Zhandabayeva, Aigerim Z. Mukhamedsadykova and Anna Malm

Molecules 2024, 29(23), 5749; https://doi.org/10.3390/molecules29235749 - 5 Dec 2024

Viewed by 1227

Abstract

The genus Inula has been used in folk medicine for centuries; however, the data concerning Inula britannica L. are scarce. This study aimed at investigating the chemical composition of methanolic and ethanolic extracts from the aerial parts of I. britannica collected in Kazakhstan and evaluating their antimicrobial and antioxidant properties, with special attention being paid to polyphenols. The total content of polyphenols and flavonoids in the extracts was determined colorimetrically, while their qualitative and quantitative analyses were conducted using HPLC/ESI-QTOF-MS and RP-HPLC/DAD. Their antioxidant potential was determined using the FRAP and DPPH methods, whereas their antimicrobial activity was determined by the microdilution method towards a panel of reference microorganisms, including pathogens of the human gastrointestinal tract. Chemical analysis demonstrated that the methanolic extract had a higher content of polyphenols (58.02 vs. 43.44 mg GAE/g) and flavonoids (21.69 vs. 13.91 mg QUE/g) than the ethanolic extract. In both extracts, 15 compounds were identified, with the highest contents being those of cynarine (13.96 and 11.68 mg/g) and chlorogenic acid (9.22 and 5.09 mg/g). The DPPH assay showed a higher antioxidant activity of the methanolic extract (19.78 ± 0.12 mg GAE/g) in comparison to that of the ethanolic extract (15.56 ± 0.24 mg GAE/g). Similarly, the FRAP method showed that the methanolic extract exerted a much higher antioxidant activity (5.07 ± 0.18 mmol Fe²⁺/g) than the ethanolic extract (0.39 ± 0.01 mmol Fe²⁺/g). In contrast, both extracts showed similar antimicrobial properties, with the highest activity being that against Helicobacter pylori ATCC 43504 (MIC = 0.125–0.25 mg/mL). This paper presents novel data on I. britannica L., implying its significance as a source of valuable active compounds and being a prerequisite for further biological studies. Full article

(This article belongs to the Special Issue Biological Activity of Plant Extracts)

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Review

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48 pages, 3338 KiB

Open AccessReview

A Comprehensive Review of the Phenolic Compounds in Dracocephalum Genus (Lamiaceae) Related to Traditional Uses of the Species and Their Biological Activities

by Izabela Weremczuk-Jeżyna and Izabela Grzegorczyk-Karolak

Molecules 2025, 30(9), 2017; https://doi.org/10.3390/molecules30092017 (registering DOI) - 30 Apr 2025

Abstract

The genus Dracocephalum (family Lamiaceae) comprises approximately 70 species, many of which have been traditionally used in various ethnomedical systems. The plants exhibit a broad distribution across steppe, semi-deserts, deserts, and alpine zones of temperate Eurasia, with isolated endemic species occurring in North America and North Africa. The traditional medicinal uses of the Dracocephalum species encompass the treatment of respiratory diseases, colds and fever, gastrointestinal disorders, liver and gallbladder ailments, musculoskeletal conditions, cardiovascular diseases, diabetes, gynecological and urological disorders, as well as ailments of the ears, throat, mouth, and eyes, as well as various dermatological conditions. The plants are rich sources of polyphenolic compounds, including flavonoids and phenolic acids, which contribute to their diverse pharmacological activities. The flavonoid profile of the Dracocephalum species is dominated by luteolin and apigenin derivatives, supplemented by mono-, di-, tri-, tetra-, and pentamethoxylated flavones. The predominant phenolic acids are chlorogenic acid, coumaric acid, rosmarinic acid, and their derivatives. Other phenolic compounds have also been identified in the genus: anthocyanins, lignans, phenylethanoids, phenylacetamide glycosides, flavonoid alkaloids, gingerols, coumarins, furanocoumarins, and cyanogenic glucosides. Despite growing scientific interest in this genus, a comprehensive review of its polyphenolic constituents, their structures, and associated biological activities remains lacking. To bridge this gap, this review presents an analysis of the polyphenolic profile of the Dracocephalum species, their ethnomedicinal uses, and the latest findings on their biological potential. Full article

(This article belongs to the Special Issue Biological Activity of Plant Extracts)

29 pages, 1612 KiB

Open AccessReview

Anthraquinones and Aloe Vera Extracts as Potential Modulators of Inflammaging Mechanisms: A Translational Approach from Autoimmune to Onco-Hematological Diseases

by Raffaele Cordiano, Santino Caserta, Paola Lucia Minciullo, Alessandro Allegra and Sebastiano Gangemi

Molecules 2025, 30(6), 1251; https://doi.org/10.3390/molecules30061251 - 11 Mar 2025

Viewed by 1134

Abstract

Inflammaging is a chronic, low-grade inflammatory state that contributes to age-related diseases, including cardiovascular disorders, osteoporosis, neurodegeneration, and cancer. This process involves immunosenescence, oxidative stress, and immune aging, all of which contribute to the breakdown of immune tolerance and the onset of autoimmune disorders. Aloe vera (AV) has recently gained attention for its immunomodulatory, anti-inflammatory, and antioxidant properties. This review explores the effects of AV extracts and anthraquinones (e.g., aloe–emodin, emodin, aloin) on key inflammaging-driven mechanisms in autoimmunity. Our analysis highlights AV’s ability to regulate hormone balance, autoantibody production, and cytokine/chemokine signaling (such as interleukin-1β, tumor necrosis factor-α, and interferon-γ). It modulates inflammatory pathways, including mitogen-activated protein kinases (MAPKs) and phosphatidylinositol 3-kinase/protein kinase B (PI3K/AKT), thereby inhibiting nuclear factor kappa-light-chain-enhancer of activated B-cell (NF-κB) activation. Additionally, AV enhances antioxidant defenses and restores immune balance by reducing Th1/Th17 subsets while promoting Th2-mediated regulation. Notably, AV also modulates inflammasome-mediated mechanisms and counteracts immunosenescence, which is driven by autophagy-related processes. These effects position AV as a potential integrative approach to mitigating inflammaging-driven autoimmunity. Furthermore, as inflammaging is increasingly recognized in onco-hematological diseases, AV-based strategies may offer novel therapeutic avenues. Future studies should focus on clinical validation, optimizing formulations, and expanding applications to broader age-related and immune-mediated disorders. Full article

(This article belongs to the Special Issue Biological Activity of Plant Extracts)

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19 pages, 2408 KiB

Open AccessReview

Marchantia polymorpha as a Source of Biologically Active Compounds

by Filip Nowaczyński, Rosario Nicoletti, Beata Zimowska and Agnieszka Ludwiczuk

Molecules 2025, 30(3), 558; https://doi.org/10.3390/molecules30030558 - 26 Jan 2025

Viewed by 1118

Abstract

Marchantia polymorpha L., also known as common liverwort or umbrella liverwort, is a spore-forming plant belonging to the Marchantiaceae family. This thallose liverwort has gained importance as a model plant, mainly because of its global distribution and easy and rapid in vitro culturing. A review of the literature shows that the major compounds in this species are undoubtedly sesquiterpenoids and bisbibenzyls. Among the sesquiterpenoids, it is worth mentioning cuparenes, chamigranes, and thujopsanes. Compounds belonging to these classes were found in specimens from Japan, China, Poland, Germany, and India and could be the chemical markers of this liverwort species. The key secondary metabolite of M. polymorpha is a macrocyclic bisbibenzyl, marchantin A. Marchantin-type aromatic compounds, together with other bisbibenzyls, such as riccardin D, isoriccardin C, or perrottetin E, demonstrated antifungal and antibacterial properties in various studies. In this review, we summarize the current knowledge on the diversity of compounds produced by M. polymorpha, emphasizing chemical variability depending on the origin of the plant material. Moreover, the biological activity of extracts obtained from this liverwort species, as well as single secondary metabolites, are described. Full article

(This article belongs to the Special Issue Biological Activity of Plant Extracts)

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