molecules-logo

Journal Browser

Journal Browser

Bioactive Compounds in Plants: Extraction 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 June 2026 | Viewed by 13472

Special Issue Editors


E-Mail Website1 Website2
Guest Editor
Health Institute of Technologies (ITS CIMATEC), National Service of Industrial Learning, Laboratory of Pharmaceutical’s Formulations, University Center SENAI CIMATEC, Salvador 41650-010, Brazil
Interests: bacterial cellulose; biocomposites; montmorillonite; wound dressing; ex situ production; carbon sources; gluconacetobacter hansenii

E-Mail Website
Guest Editor Assistant
Institute of Technology and Research (ITP), Aracaju, Brazil
Interests: biocompounds; bioactive molecules; extraction process; antimicrobial effects; cancer; antiproliferative and nanoparticles; adsorption; pressurized fluids

Special Issue Information

Dear Colleagues,

The remarkable diversity of natural molecules found in plants continues to drive scientific innovation across multiple fields. With complex structures and diverse biological activities, these compounds offer significant potential for applications in medicine, nutrition, materials science, and beyond.

This Special Issue, “Bioactive Compounds in Plants: Extraction and Application”, aims to highlight advanced research on the extraction, characterization, and utilization of these molecules. We welcome studies focusing on innovative and sustainable extraction techniques, advanced isolation and structural elucidation methods, investigations into biological activities and mechanisms of action, and applications in health, food science, and materials science.

Review articles providing comprehensive insights into current knowledge, challenges, and future directions in bioactive compounds are also highly encouraged. By bringing together cutting-edge research, this Special Issue seeks to expand our understanding of this topic and promote innovative applications of plant-derived bioactive compounds

Dr. Bruna Aparecida Souza Machado
Guest Editor

Dr. Klebson Santos
Guest Editor Assistant

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-blind 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

  • bioactive compounds
  • extraction
  • biological activities

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • Reprint: MDPI Books provides the opportunity to republish successful Special Issues in book format, both online and in print.

Further information on MDPI's Special Issue policies can be found here.

Published Papers (15 papers)

Order results
Result details
Select all
Export citation of selected articles as:

Research

Jump to: Review

26 pages, 875 KB  
Article
Evaluation of the Effect of Refractive Window Drying Using Ultrasound as Pretreatment on the Preservation of the Chemical, Physical and Techno-Functional Properties of the Leaf of Bauhinia forficata
by Cecilia E. Martínez-Sánchez, Ivet Gallegos-Marín, Roselis Carmona-García, Jesús Rodríguez-Miranda, Juan G. Torruco-Uco, Emmanuel de J. Ramírez-Rivera, Adriana Moreno-Rodríguez, Carolina Calderón-Chiu and Erasmo Herman-Lara
Molecules 2026, 31(12), 2058; https://doi.org/10.3390/molecules31122058 - 12 Jun 2026
Abstract
Bauhinia forficata leaves were subjected to ultrasonic pretreatment and subsequently dried using a refractance window (RW) and tray drying (TD). The physical, chemical, and biological properties of the dried leaves were evaluated under both drying methods, with and without ultrasound. RW combined with [...] Read more.
Bauhinia forficata leaves were subjected to ultrasonic pretreatment and subsequently dried using a refractance window (RW) and tray drying (TD). The physical, chemical, and biological properties of the dried leaves were evaluated under both drying methods, with and without ultrasound. RW combined with ultrasound (RW-US) resulted in the shortest drying time (90 min) and the lowest values of water activity (0.21), color difference (ΔE = 0.61), and maximum shear force (14.72 N), indicating improved drying efficiency and texture preservation. In addition, the RW-US samples exhibited the highest water solubility capacity (13.75%), water absorption capacity (5.56 g water/g dry matter), and swelling power (9.95%). With respect to structural changes, thickness showed the greatest percentage reduction during drying. The RW-US treatment also preserved bioactive compounds more effectively, yielding the highest total polyphenol content (61.96 mg GAE/g extract), flavonoid content (308.44 mg QE/g extract), antioxidant activity (60.50% by DPPH• and 70.15% by ABTS•+), and chlorophyll content (2.65 mg/g), the values of which were closest to those of fresh leaves. None of the extracts showed cytotoxic effects, with respect to hypoglycemic activity, the best treatments were RW, RW-US, and TD, which resulted in glucose reductions of 51.64%, 41.95% and 39.70%, respectively. Overall, RW-US drying preserved most of the physical, chemical, and biological properties, resulting in the production of a potential functional ingredient for foods. Full article
(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)
Show Figures

Graphical abstract

22 pages, 6106 KB  
Article
Lutein Modulates Stress-Responsive Signaling Pathways in THLE-2 Human Hepatocytes Under Intestinal Failure–Associated Liver Disease Conditions
by Izabela Żółnowska, Violetta Krajka-Kuźniak, Marta Belka, Grzegorz Adamek and Maciej Stawny
Molecules 2026, 31(9), 1413; https://doi.org/10.3390/molecules31091413 - 24 Apr 2026
Viewed by 402
Abstract
Intestinal dysfunction and parenteral nutrition (PN) can trigger a spectrum of liver disorders collectively referred to as intestinal failure-associated liver disease (IFALD), for which therapeutic options remain limited. In the present study, we investigated the modulatory effects of the bioactive xanthophyll carotenoid lutein [...] Read more.
Intestinal dysfunction and parenteral nutrition (PN) can trigger a spectrum of liver disorders collectively referred to as intestinal failure-associated liver disease (IFALD), for which therapeutic options remain limited. In the present study, we investigated the modulatory effects of the bioactive xanthophyll carotenoid lutein in an in vitro IFALD model utilizing human THLE-2 hepatocytes exposed to lipopolysaccharide and Intralipid to mimic PN–associated inflammatory and metabolic stress. Because lutein is poorly water-soluble and patients receiving PN lack enteral intake of this compound, we also evaluated the cyto- and hemocompatibility of a human serum albumin–based lutein nanoformulation developed to enable intravenous administration. A bead-based multiplex immunoassay revealed that lutein attenuated dysregulation of inflammatory and metabolic signaling by modulating total and phosphorylated levels of MAPKs, NF-κB, Akt, STAT5, CREB, and p70S6K. Lutein also affected lipid metabolism–related gene expression, decreasing SREBF2 and restoring ABCA1 and PRKAA2 mRNA toward control levels, as determined by qPCR. Nanoformulated lutein, with a mean particle size of approximately 160 nm, was non-toxic in THLE-2 cells and exhibited hemocompatibility in a human erythrocyte hemolysis assay. Together, our findings provide both biological and technological rationale for further exploration of lutein-based strategies to mitigate IFALD in patients receiving PN. Full article
(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)
Show Figures

Figure 1

19 pages, 1675 KB  
Article
The Effect of Gold Nanoparticles in Sodium Alginate on the Biochemical Characteristics of Garden Cress
by Miłosz Rutkowski, Damian Duda, Ewa Godos, Wojciech Makowski, Emilia Bernaś, Karen Khachatryan, Andrzej Kalisz, Agnieszka Sękara and Gohar Khachatryan
Molecules 2026, 31(8), 1373; https://doi.org/10.3390/molecules31081373 - 21 Apr 2026
Viewed by 636
Abstract
Gold nanoparticles (AuNPs) have numerous applications in science and industry. Therefore, their potential phytotoxicity should be investigated. Garden cress (Lepidium sativum L.) is a useful model plant for assessing the effects of chemicals released into the environment. The aim of this study [...] Read more.
Gold nanoparticles (AuNPs) have numerous applications in science and industry. Therefore, their potential phytotoxicity should be investigated. Garden cress (Lepidium sativum L.) is a useful model plant for assessing the effects of chemicals released into the environment. The aim of this study was to prepare alginate gels containing AuNPs for plant exposure experiments, evaluate their physicochemical properties, and determine their effects on selected biochemical parameters of garden cress seedlings. Gold nanoparticles were synthesized in sodium alginate at an initial concentration of 50 mg/L, using xylose and maltose as reducing agents. The gels were diluted with distilled water to obtain AuNP concentrations of 5 and 25 mg/L. Garden cress seeds were placed on filter paper soaked with the tested formulations, while distilled water and sodium alginate solutions without AuNPs served as controls. After 5 days of incubation at 20 °C under light conditions, the plant material was collected and selected bioactive compounds were determined. AuNP-containing gels significantly affected the biochemical status of the seedlings. In particular, AuNPs synthesized with xylose at 25 mg/L significantly increased the contents of photosynthetic pigments and total polyphenolic compounds. All tested AuNP formulations increased the antioxidant activity of seedlings, suggesting the activation of abiotic stress-related defense responses, however, direct markers of oxidative damage were not assessed in the present study. Overall, the results indicate that alginate-based AuNPs can modify selected biochemical parameters in garden cress seedlings, and these effects depend on nanoparticle concentration and reducing sugar used during synthesis, which may be relevant for the future development of plant-targeted nanomaterials for agricultural applications. Full article
(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)
Show Figures

Figure 1

23 pages, 2805 KB  
Article
Electrocorticographic Changes and Neuronal Maturation in the Antidepressant-like and Anxiolytic Effects of Micro- or Macrodosing of Psilocybe cubensis Mushroom in Mice
by Flor Eréndira Sánchez-Cortés, Nelly Maritza Vega-Rivera, Raúl Escamilla-Orozco, David Martínez-Vargas, Alberto Hernandez-Leon, Ingrid Escamilla-Cervantes, Aylin R. Tabal-Robles, Martín Torres-Valencia, Leticia Romero-Bautista, María Eva González-Trujano and Erika Estrada-Camarena
Molecules 2026, 31(8), 1331; https://doi.org/10.3390/molecules31081331 - 18 Apr 2026
Viewed by 780
Abstract
Mushroom use dates back to ancient times, and it currently remains significant among indigenous and urban populations as a medicinal option. Psilocybe species are suggested to modify emotions when administered in macro- or microdose form for the treatment of anxiety and depression, both [...] Read more.
Mushroom use dates back to ancient times, and it currently remains significant among indigenous and urban populations as a medicinal option. Psilocybe species are suggested to modify emotions when administered in macro- or microdose form for the treatment of anxiety and depression, both often affected by a delayed onset and adverse effects of current pharmacological therapy. The objective of this study was to evaluate the anxiolytic and/or antidepressant-like effects of P. cubensis mushroom aqueous extract (PcAE) microdosing in mice using open-field and rota-rod tests, followed by plus-maze or forced swimming tests. We also evaluated changes in neuronal activity and dendritic maturation using electrocorticography (ECoG) and immunohistochemical techniques. The outcomes were compared with an effective macrodose of PcAE and antidepressant fluoxetine (FLX). For this study, mice were grouped as follows: (1) vehicle, (2) acute, and (3) repeated (10 days) PcAE microdosing (1 µg/kg); (4) single PcAE macrodose (1 g/kg); and (5) acute and (6) repeated reference drug fluoxetine (FLX, 10 mg/kg).The anxiolytic and antidepressant-like effects using microdosing were similar to those observed with macrodoses of PcAE and FLX; significant dose- and/or time-dependent changes in the ECoG and dendritic maturation of hippocampus neurons were also observed, in addition to altered corticosterone levels. To conclude, P. cubensis mushroom promotes brain effects in mice after micro- and macrodosing, supporting its potential as a therapeutic alternative for mental health. Full article
(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)
Show Figures

Graphical abstract

22 pages, 4624 KB  
Article
Application of Silibinin Oleate as a Nutraceutical Antioxidant for Improving the Quality of Sunflower Oil
by Cristina Adriana Dehelean, Cristian Oancea, Andreea-Adriana Neamtu, Vlad Enache, Victor Emil Alexa, Ileana Cocan, Mariana Suba, Maria-Alexandra Pricop, Alexandra Teodora Lukinich-Gruia, Călin Adrian Tatu and Ersilia Alexa
Molecules 2026, 31(7), 1222; https://doi.org/10.3390/molecules31071222 - 7 Apr 2026
Viewed by 594
Abstract
Sunflower oil is particularly prone to thermo-oxidative degradation due to its high content of polyunsaturated fatty acids, especially under high-temperature conditions. This study investigated the oxidative stability of sunflower oil heated at 180 °C for 4 and 8 h, focusing on the protective [...] Read more.
Sunflower oil is particularly prone to thermo-oxidative degradation due to its high content of polyunsaturated fatty acids, especially under high-temperature conditions. This study investigated the oxidative stability of sunflower oil heated at 180 °C for 4 and 8 h, focusing on the protective effect of silibinin oleate (SIL-O), a lipophilic polyphenolic derivative, compared to the synthetic antioxidant butylated hydroxytoluene (BHT). Oxidative changes were evaluated through peroxide value (PV), p-anisidine value (p-AV), and total oxidation value (TOTOX), while structural alterations were monitored using FTIR spectroscopy. Additionally, fatty acid composition was analyzed by GC-MS to assess compositional changes associated with oxidation. Thermal treatment led to increases in PV, p-AV, and TOTOX, indicating progressive oxidation, alongside a decrease in unsaturated fatty acids. FTIR analysis revealed characteristic changes, including a reduction in the unsaturation band (~3008 cm−1), modifications in the ester carbonyl region (~1743 cm−1), and the emergence of bands associated with cis–trans isomerization (~968–970 cm−1). Strong correlations were observed between fatty acid degradation, FTIR indices, and oxidation parameters. Compared to the control, SIL-O inhibited oxidation in a dose-dependent manner. At 300 ppm, it outperformed BHT, demonstrating its potential as a natural antioxidant for enhancing the stability of sunflower oil during high-temperature processing. Full article
(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)
Show Figures

Figure 1

32 pages, 7983 KB  
Article
Clove Essential Oil as an Antifungal Agent and Putative Dual-Action Antifungal Mechanism: Experimental Validation and Computational Insights into Orthosteric and Allosteric Modulation of Chitin Synthase I in Penicillium Species
by Yamid Castillo, Edgar A. Márquez Brazón, Yeimmy Peralta-Ruiz, Clemencia Chaves-López, Oscar Saurith-Coronell and Carlos David Grande-Tovar
Molecules 2026, 31(7), 1132; https://doi.org/10.3390/molecules31071132 - 30 Mar 2026
Cited by 1 | Viewed by 777
Abstract
Fungal contamination during postharvest storage causes significant food losses, particularly due to Penicillium expansum and Penicillium brevicompactum, highlighting the need for sustainable antifungal alternatives. This study evaluated the antifungal potential of clove essential oil (Syzygium aromaticum) against P. expansum and [...] Read more.
Fungal contamination during postharvest storage causes significant food losses, particularly due to Penicillium expansum and Penicillium brevicompactum, highlighting the need for sustainable antifungal alternatives. This study evaluated the antifungal potential of clove essential oil (Syzygium aromaticum) against P. expansum and P. brevicompactum by integrating in vitro assays with in silico analyses. Minimum inhibitory concentrations (MICs) were determined, and effects on fungal growth, membrane integrity, and spore germination were assessed. Molecular docking and molecular dynamics simulations were performed to evaluate the affinity and stability of the five most abundant GC–MS compounds that met predefined ProTox-II toxicity criteria (categories 5–6; LD50 ≥ 2000 mg/kg) toward chitin synthase I (CHS I), a key enzyme in chitin biosynthesis. The oil exhibited strong inhibitory activity, with MIC values of 0.156 µL/mL against P. expansum and 0.312 µL/mL against P. brevicompactum, along with significant morphological and physiological alterations. Computational analyses indicated that trans-β-caryophyllene oxide and α-humulene form stable interactions at both the active and an allosteric site of CHS I, supporting a putative dual inhibitory mechanism. These findings highlight clove essential oil as a promising ecological alternative to synthetic fungicides and underscore the value of computational approaches for elucidating antifungal mechanisms in understudied species. Full article
(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)
Show Figures

Graphical abstract

12 pages, 1008 KB  
Article
Comparative Study of the Effects of Carvacrol and p-Cymene on the Motor Activity of Rats and Movement of Caenorhabditis elegans
by Oliver Stošić, Dragana Medić, Djordje S. Marjanović, Tihomir Marić, Veljko Savić, Jelena Nedeljković Trailović, Nemanja Zdravković and Saša M. Trailović
Molecules 2026, 31(7), 1119; https://doi.org/10.3390/molecules31071119 - 28 Mar 2026
Viewed by 493
Abstract
The active constituents of essential plant oils (EOAIs), monoterpenoid carvacrol and monoterpene p-cymene, are widely distributed in many aromatic plants and their products. They differ in that carvacrol has a phenolic functional group. The numerous pharmacological effects of these two EOAIs are [...] Read more.
The active constituents of essential plant oils (EOAIs), monoterpenoid carvacrol and monoterpene p-cymene, are widely distributed in many aromatic plants and their products. They differ in that carvacrol has a phenolic functional group. The numerous pharmacological effects of these two EOAIs are well known. In different doses/concentrations, they exhibit analgesic, neuroprotective, vasorelaxant, anti-inflammatory, antiviral, antibacterial and antiparasitic effects. The acute toxicity of carvacrol and p-cymene in rats and the free-living nematode Caenorhabditis elegans was investigated. Furthermore, the impact of subacute administration of these two terpenes on general health, CNS integration, i.e., motor coordination and balance of rats, as well as their effects on the movement of adult C. elegans, was also examined. The aim was to compare the effects and describe in more detail the selective toxicity of carvacrol and p-cymene. The calculated LD50 value of carvacrol was 790.15 ± 1.15 mg/kg, while the LD50 value of p-cymene is above 3000 mg/kg. Tested doses of carvacrol and p-cymene administered for 28 days (50, 100, and 200 mg/kg) did not exert any effect on the CNS of rats or cause any clinical disorders. LC50 value of carvacrol for adult C. elegans was 184.13 ± 1.51 μM and for p-cymene 1268 ± 1.65 μM. In subacute testing, carvacrol showed negative effects on C. elegans reproduction, distance traveled, movement speed and rotational index at lower concentrations than p-cymene, indicating higher toxicity, which may be due to its phenolic structure. On the other hand, although less toxic to C. elegans, p-cymene exhibited a specific effect on worm motility, with more rolling which should be further investigated, and can be a consequence of cuticle damage or loss of orientation. Full article
(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)
Show Figures

Figure 1

15 pages, 510 KB  
Article
Whole-Cell Biocatalysis for the Production of Structurally Diverse Methoxydihydrochalcones: Broad Activity of the Yarrowia Clade
by Paweł Chlipała, Marcelina Mazur, Anna Kancelista, Zbigniew Lazar and Tomasz Janeczko
Molecules 2026, 31(6), 1049; https://doi.org/10.3390/molecules31061049 - 22 Mar 2026
Viewed by 765
Abstract
Whole-cell biocatalysis presents a sustainable and efficient approach for the selective reduction in α,β-unsaturated bonds in flavonoid derivatives. This study investigates the capability of yeast strains from the Yarrowia clade to catalyze the chemoselective reduction of 4′-methoxychalcone (1a) to its dihydro [...] Read more.
Whole-cell biocatalysis presents a sustainable and efficient approach for the selective reduction in α,β-unsaturated bonds in flavonoid derivatives. This study investigates the capability of yeast strains from the Yarrowia clade to catalyze the chemoselective reduction of 4′-methoxychalcone (1a) to its dihydro derivative. All tested strains exhibited similarly high hydrogenation activity, indicating a broadly conserved enoate reductase function within the clade. Among them, Yarrowia lipolytica KCh 71, previously reported and well characterized in the literature, was selected for preparative-scale transformation of a diverse series of synthetic methoxychalcones bearing additional methoxy groups in positions C-2, C-3, C-4, C-5, and C-6 of ring B. All derivatives were effectively converted into the corresponding dihydrochalcones, with yields ranging from 62% to 92%. Among the tested derivatives, the 2′,4′,6′-trimethoxy chalcone (7a) did not undergo biotransformation under our conditions, whereas mono- and di-methoxy derivatives (2a6a) were efficiently reduced. These results confirm the broad substrate tolerance, high efficiency, and potential scalability of Y. lipolytica KCh 71, supporting its potential as a whole-cell biocatalyst for the sustainable synthesis of bioactive dihydrochalcones. The consistently high hydrogenation activity observed across 21 tested strains suggests the involvement of evolutionarily conserved enoate reductases. Bioinformatic analysis supports that the Yarrowia clade possesses a robust complement of Old Yellow Enzymes (OYE), providing a reliable enzymatic basis for the observed chemoselective reductions. All Yarrowia tested strains showed the same general transformation type, although the extent and rate of conversion differed among strains, and Y. lipolytica KCh 71 was one of the most tolerant. The broad reduction in α,β-unsaturated chalcones is consistent with the action of flavoenzymatic ene-reductases, particularly Old Yellow Enzyme (OYE)–like reductases. Bioinformatic analysis of Yarrowia genomes reveals putative OYE homologs, supporting this mechanistic interpretation, although the specific enzymes were not identified in this study. Full article
(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)
Show Figures

Figure 1

17 pages, 1655 KB  
Article
Preclinical Evaluation of Tradescantia spathacea Phenolic Extract-Loaded Silica in a Parkinson’s Disease Model
by Lorenna E. S. Lopes, Marília R. Oliveira, Reinaldo V. B. Neto, Tatiane B. Santos, Juliana F. De Conto, M. Beatriz P. P. Oliveira, Margarete Z. Gomes and Klebson S. Santos
Molecules 2026, 31(6), 950; https://doi.org/10.3390/molecules31060950 - 12 Mar 2026
Viewed by 581
Abstract
The current limitations in Parkinson’s Disease (PD) treatments necessitate innovative approaches. To this end, phenolic compounds from Tradescantia spathacea (T. spathacea) and bioactive silica demonstrate potential therapeutic efficacy in the prevention or treatment of neurodegenerative disorders, including Alzheimer’s disease and Parkinson’s [...] Read more.
The current limitations in Parkinson’s Disease (PD) treatments necessitate innovative approaches. To this end, phenolic compounds from Tradescantia spathacea (T. spathacea) and bioactive silica demonstrate potential therapeutic efficacy in the prevention or treatment of neurodegenerative disorders, including Alzheimer’s disease and Parkinson’s disease. Hence, this study explores the neuroprotective potential of silica loaded with T. spathacea extract (SiO2-TS) in a preclinical model of PD. The aqueous extract of T. spathacea (AETS) was prepared via infusion and characterized in terms of overall yield (21.9 ± 0.4%), total phenolic compounds (25.51 ± 2.39 mg GAE/g), and total flavonoid content (6.10 ± 0.16 mg RE/g). Silica loaded with AETS was synthesized and tested in adult Wistar rats (PD-like symptoms). The rats were treated with daily intranasal administration of SiO2-TS (10 or 30 mg/kg) for 15 days. Quantitative behavioral analysis showed significant motor improvement and reduced anxiety-like behavior in the 30 mg/kg SiO2-TS group compared to the 6-OHDA (6-hydroxydopamine) control. Immunohistochemistry revealed preserved dopaminergic neurons and reduced astrogliosis (GFAP expression) in the same SiO2-TS group. These results suggest SiO2-TS has significant neuroprotective effects and warrants further study for Parkinson’s disease treatment. Full article
(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)
Show Figures

Figure 1

21 pages, 3463 KB  
Article
From Plant to Target: Uncovering a Novel Anti-Inflammatory Compound in Pouzolzia pentandra via Phytochemical, Cellular, and Computational Studies
by Do Tien Lam, Nguyen Anh Hung, Dao Viet Hung, Pham Thi Hong Minh, Hoang Thi Le Thuong and Vu Thi Thu Le
Molecules 2026, 31(3), 461; https://doi.org/10.3390/molecules31030461 - 28 Jan 2026
Viewed by 738
Abstract
Phytochemical investigation of the ethyl acetate extract from the aerial parts of Pouzolzia pentandra led to the isolation and identification of fourteen compounds (114). These include known compounds such as β-sitosterol (1), bauerenol (2), [...] Read more.
Phytochemical investigation of the ethyl acetate extract from the aerial parts of Pouzolzia pentandra led to the isolation and identification of fourteen compounds (114). These include known compounds such as β-sitosterol (1), bauerenol (2), oleanolic acid (3), 3β-friedelanol (4), kaempferol (5), quercetin (6), 2′,6′-dihydroxy-3′,4′-dimethoxychalcone (7), friedelan-3-one (8), dipterocarpol (9), 3β-hydroxyolean-12-en-28-one 3-p-coumarate (10), daucosterol (11), astilbin (12), 3-methoxy-4-hydroxybenzoic acid (13), and pouzolignan F (14). Among these, compound 14 displayed the most potent inhibitory activity on nitric oxide (NO) production in LPS-stimulated RAW264.7 macrophages, with an IC50 value of 10.54 ± 0.4 µM. Mechanistic studies further revealed that compound 14 significantly suppressed the LPS-induced release of key pro-inflammatory cytokines, tumor necrosis factor-alpha (TNF-α) and interleukin-6 (IL-6). Furthermore, it inhibited the activation of the nuclear factor-kappa B (NF-κB) signaling pathway by preventing the nuclear translocation of its p65 subunit. Molecular docking studies were performed to evaluate the anti-inflammatory potential of compound 14 against cyclooxygenase-2 (COX-2) and phosphodiesterase-4 (PDE4). The compound exhibited binding affinities of −6.138 kcal/mol and −9.361 kcal/mol for COX-2 and PDE4, respectively. Subsequent molecular dynamics (MD) simulations confirmed the formation of a stable complex with the active site of PDE4. Collectively, these integrated in vitro and in silico findings demonstrate that pouzolignan F acts as a multi-target anti-inflammatory agent, likely through the inhibition of inflammatory mediators, cytokines, and the NF-κB pathway. Full article
(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)
Show Figures

Figure 1

16 pages, 6138 KB  
Article
Influence of Phlai (Zingiber montanum) and Njui (Bombax ceiba) Extracts in Bull Semen Extender on Antioxidant Activity and Sperm Quality
by Jiraporn Laoung-on, Nopparuj Outaitaveep, Jakree Jitjumnong, Sakaewan Ounjaijean and Kongsak Boonyapranai
Molecules 2026, 31(2), 368; https://doi.org/10.3390/molecules31020368 - 20 Jan 2026
Viewed by 917
Abstract
Infertility represents a significant global health issue, and the use of antioxidants in sperm preservation techniques provides an effective strategy to improve sperm quality. This study aims to examine the phytochemical components of Phlai and Njui extracts and their antioxidant effects on enhancing [...] Read more.
Infertility represents a significant global health issue, and the use of antioxidants in sperm preservation techniques provides an effective strategy to improve sperm quality. This study aims to examine the phytochemical components of Phlai and Njui extracts and their antioxidant effects on enhancing the motility of fresh bull semen. Among the extracts, Njui contained the highest levels of total phenolics, total tannins, and lycopene contents along with the strongest DPPH, ABTS, and AOPP inhibition. Phlai contained the highest levels of total flavonoids. Njui and combined extracts showed the strongest AGE inhibition. The motility of sperm in the semen extender supplemented with Phlai, Njui, and their combination exhibited greater total motility, particularly progressive motility, compared to sperm in the normal extender after 48–72 h. Furthermore, there was a reduced generation of ROS compared to sperm in the normal extender and with vitamin E acetate supplementation after 24–72 h. In conclusion, Phlai and Njui extracts, plentiful in bioactive chemicals, showed significant antioxidant activity and enhanced sperm motility by neutralizing free radicals and strengthening antioxidant defenses. The findings indicate that Phlai and Njui, especially in combination, provide advantages for sperm preservation. Full article
(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)
Show Figures

Graphical abstract

25 pages, 4921 KB  
Article
In Silico and In Vitro Insights into the Pharmacological Potential of Pouzolzia zeylanica
by Nguyen Anh Hung, Vu Thi Thu Le, Nguyen Viet Hung, Ha Thi Minh Tam, Nguyen Ngoc Linh, Nguyen Quang Hop, Nguyen Thi Hanh and Do Tien Lam
Molecules 2026, 31(2), 357; https://doi.org/10.3390/molecules31020357 - 20 Jan 2026
Viewed by 903
Abstract
The present study involves the isolation, structural elucidation, and biological evaluation of eight compounds from Pouzolzia zeylanica. From the n-hexane and ethyl acetate extracts of the plant, eight compounds were successfully isolated and identified: oleanolic acid (1), ursolic acid [...] Read more.
The present study involves the isolation, structural elucidation, and biological evaluation of eight compounds from Pouzolzia zeylanica. From the n-hexane and ethyl acetate extracts of the plant, eight compounds were successfully isolated and identified: oleanolic acid (1), ursolic acid (2), 2α-hydroxyursolic acid (3), 3β-O-acetyl-12-oleanen-28-oic acid (4), 5-hydroxy-6,7-dimethoxyflavanone (5), 4′-methoxytectochrysin (6), 3,4′,5,7-tetrahydroxyflavanone-3-O-L-rhamnopyranoside (7), and 3,3′,5,5′,7-pentahydroxyflavanone-3-O-L-rhamnopyranoside (8). These compounds were evaluated for in vitro antioxidant activity using the 1,1-diphenyl-2-picrylhydrazyl (DPPH) and lipid peroxidation inhibition (TBARS) assays, as well as anti-inflammatory activity via inhibition of nitric oxide (NO) production and the secretion of pro-inflammatory cytokines tumour necrosis factor-alpha (TNF-α) and interleukin-6 (IL-6) in RAW 264.7 macrophages. It was observed that compound 3 exhibited the strongest antioxidant activity with IC50 values of 18.52 ± 1.50 µM (DPPH) and 10.34 ± 0.93 µM (TBARS), whereas compounds 2, 5, and 6 showed moderate to weak effects. Meanwhile, compound 8 demonstrated the most potent anti-inflammatory effect with IC50 values of 16.25 ± 0.95 µM (NO inhibition), 12.97 ± 0.88 µM (TNF-α inhibition), and 22.52 ± 1.98 µM (IL-6 inhibition). Furthermore, in silico approaches were employed, including density functional theory (DFT) calculations to predict the antioxidant mechanisms of compounds 1 and 3 and molecular docking to assess the cyclooxygenase-2 (COX-2) and phosphodiesterase-4B (PDE4B) inhibitory potentials of compounds 4, 7, and 8. Computational results aligned well with experimental data, supporting the potential of these compounds as natural antioxidant and anti-inflammatory agents. Full article
(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)
Show Figures

Figure 1

18 pages, 3358 KB  
Article
Green Synthesis of Silica Nanoparticles from Sugarcane Bagasse Ash for Stable Pickering Oil-in-Water Emulsions
by Daniel Jaramillo-Vélez, Mariana Ochoa-Castaño, Andrea Flórez-Caro, Luis David Botero, Esteban Ureña-Benavides, Raúl Adolfo Valencia-Cardona, Jorge Andrés Velásquez-Cock and Catalina Gómez-Hoyos
Molecules 2025, 30(22), 4464; https://doi.org/10.3390/molecules30224464 - 19 Nov 2025
Viewed by 1717
Abstract
The present study explores novel alternatives for the exploitation of sugarcane bagasse ash by obtaining and modifying SiO2 nanoparticles through a green synthesis method. The hydrophilic nature of the nanoparticles was modified using oleic acid. The nanoparticles were characterized using FTIR, FESEM, [...] Read more.
The present study explores novel alternatives for the exploitation of sugarcane bagasse ash by obtaining and modifying SiO2 nanoparticles through a green synthesis method. The hydrophilic nature of the nanoparticles was modified using oleic acid. The nanoparticles were characterized using FTIR, FESEM, and DLS, and their performance in the stabilization of Pickering emulsions was also studied. FESEM micrographs of the nanoparticles revealed an irregular and agglomerated structure. EDS confirmed that their main components are oxygen and silicon, and ATR-FTIR spectra demonstrated that oleic acid effectively modified the nanoparticles. Subsequently, O/W Pickering emulsions were fabricated by combining rotor–stator homogenization and probe ultra-sonication, using dodecane and liquid paraffin as model oil phases and SiO2 NPs as stabilizers. Static light scattering measurements showed that the emulsions exhibited polydispersity, while photographic monitoring confirmed that their physical stability was affected by the concentrations of oleic acid and nanoparticles: concentrations of up to 20.0 wt% and 1.0 wt%, respectively, produced emulsions that remained stable for 7 to 15 days. This study identifies the behavior and challenges associated with novel pathways for the valorization of sugarcane bagasse ash. The stabilization of Pickering emulsions using the obtained SiO2 NPs highlights their potential in pharmaceutical, cosmetic, and food applications. Full article
(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)
Show Figures

Graphical abstract

Review

Jump to: Research

24 pages, 988 KB  
Review
Plant Bioactive Compounds at the Interface of Extraction Science, Green Nanoparticles and Applied Biotechnology: A Narrative Review
by Cristina-Ștefania Gălbău, Lorena Dima, Andrea Elena Neculau, Marius Irimie, Lea Pogačnik da Silva, Oana Bianca Oprea, Liviu Gaceu and Mihaela Badea
Molecules 2026, 31(8), 1351; https://doi.org/10.3390/molecules31081351 - 20 Apr 2026
Cited by 1 | Viewed by 749
Abstract
In the contemporary era, nanotechnology has become a central pillar in numerous domains, particularly in cosmetics, nanoelectronics, nanomedicine, and nanobiotechnology. Defined by its focus on materials with dimensions ranging from 0.1 to 100 nm, nanotechnology offers unique physicochemical properties—such as enhanced reactivity, conductivity, [...] Read more.
In the contemporary era, nanotechnology has become a central pillar in numerous domains, particularly in cosmetics, nanoelectronics, nanomedicine, and nanobiotechnology. Defined by its focus on materials with dimensions ranging from 0.1 to 100 nm, nanotechnology offers unique physicochemical properties—such as enhanced reactivity, conductivity, and permeability—attributable to the nanoscale. These properties facilitate greater interaction with biological systems, notably improving cellular uptake and functional efficacy. The increasing demand for eco-friendly and biocompatible nanomaterials has driven interest in green synthesis routes, particularly those utilising plant extracts. These methods stand out due to their low toxicity and environmental impact, positioning it as a safer alternative to conventional chemical or microbial methods. Plant-extract-mediated nanoparticles demonstrate promising applications in diagnostics, drug delivery, regenerative medicine, and neurotherapeutics. Their role in precision medicine, including gene and drug delivery and the imaging of neurological disorders, underscores green nanotechnology’s transformative potential. This review highlights recent advances in the synthesis, functionality, and biomedical applications of plant-based nanoparticles, emphasizing their relevance in in vitro models and prospective clinical settings. Full article
(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)
Show Figures

Graphical abstract

28 pages, 1497 KB  
Review
Corn Stover for Food Applications: Approaches, Advances and Insights
by Mariana Ochoa-Castaño, Nicolás Montoya-Escobar, Jorge Andrés Velásquez-Cock and Catalina Gómez-Hoyos
Molecules 2026, 31(1), 27; https://doi.org/10.3390/molecules31010027 - 22 Dec 2025
Cited by 3 | Viewed by 2354
Abstract
Corn processing generates substantial volumes of agricultural by-products, collectively referred to as corn stover, comprising husks, cobs, stalks, leaves, and silks. Although rich in bioactive compounds, these by-products are still predominantly destined for low-value uses such as landfilling and open-field burning. They contain [...] Read more.
Corn processing generates substantial volumes of agricultural by-products, collectively referred to as corn stover, comprising husks, cobs, stalks, leaves, and silks. Although rich in bioactive compounds, these by-products are still predominantly destined for low-value uses such as landfilling and open-field burning. They contain valuable biomolecules such as lignocellulosic fibers, starch, pectin, proteins, and polyphenols, all of which hold significant potential for applications in agricultural and food industries. These compounds offer opportunities as sustainable alternatives to conventional ingredients and as novel functional additives. However, utilization of corn stover remains focused on biofuel production, limiting the development of applications in broader, high-value fields such as functional food ingredients. This review aims to highlight the opportunities that corn stover presents for developing solutions for food production, which is becoming increasingly important as the global population continues to grow and food demand rises, particularly in regions where access to sufficient and nutritious food remains limited. It also considers the challenges to be solved in order to incorporate corn stover in circular economies, like the impact of pesticide presence on derived products and gaps of emerging strategies for scaling up production in alignment with circular economy goals and the high-value utilization of corn stover. Full article
(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)
Show Figures

Graphical abstract

Back to TopTop