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A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Bioactives and Nutraceuticals".

Deadline for manuscript submissions: 20 May 2026 | Viewed by 3909

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Prof. Dr. Anna Weronika Sobańska

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Department of Analytical Chemistry, Medical University of Lodz, Muszynskiego 1, 90-151 Lodz, Poland
Interests: pharmacology; environmental toxicology; liquid chromatography; drug-protein interactions; in silico studies; biological activity of plants; analysis of pharmaceutical and cosmetic preparations
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Special Issue Information

Dear Colleagues,

Plants have played an important role in medicine, beauty care and cooking since the beginning of civilization; the earliest historical records of herbs used to treat wounds and diseases are from the Sumerian times. In this Special Issue, we wish to focus on both the historical aspects and new insights into the role of plant drugs, cosmetics, dietary supplements and spices in health and disease. We invite submissions of original research papers, reviews and case studies related to the following areas:

- Quantification of plant actives;
- Molecular determinants of biological activity of plants;
- Molecular mechanisms of possible undesired side effects or toxicity of plant preparations;
- Synthesis and activity studies of analogues of natural plant actives;
- Plants drugs in ailments’ healing;
- Recreational drugs based on plant actives;
- Interactions of plant actives with other drugs;
- Problems of polypragmasy involving plant drugs and dietary supplements.

Prof. Anna Weronika Sobańska
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-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

plants’ biological activity
analysis of plant and plant preparations
interactions between plants and drugs
drugs inspired by plant actives
misuse of plant preparations

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Published Papers (6 papers)

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Research

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14 pages, 2301 KB

Open AccessArticle

Antimicrobial Properties of Analogs of Dimeric A-Type Proanthocyanidins in Food Matrices

by Antonio Cobo, Alfonso Alejo-Armijo, Daniel Cruz, Cristina Cuadrado and Elena Ortega-Morente

Int. J. Mol. Sci. 2026, 27(2), 853; https://doi.org/10.3390/ijms27020853 - 15 Jan 2026

Viewed by 292

Abstract

Polyphenols with antimicrobial and antibiofilm properties are gaining popularity due to their natural origins and relatively safe nature, and they have met the interest of the food industry because of their possible applicability as food preservatives. We have investigated the effect of different analogs of dimeric A-type proanthocyanidins (PACs) on four food matrix models, including unprocessed meat, fish, vegetables and dairy products previously contaminated with susceptible food pathogens. The best effects were achieved when cherry tomato was used as the food matrix for all the target bacteria (Staphylococcus aureus CECT 828, Listeria innocua CECT 910 and Bacillus cereus UJA27q) and for both temperatures tested (6 and 25 °C). Moreover, several combinations of these analogs also showed synergistic effects, mainly on S. aureus CECT 828, which may allow these antimicrobials to be used at lower levels in food matrices, which would promote their sensory acceptability. However, further studies should be conducted next to understand the mechanisms of these synergistic activities between the phenolic compounds against foodborne pathogens, as well as to ensure the absence of toxic effects when used as food preservatives. Full article

(This article belongs to the Special Issue Biological Study of Plant Bioactive Compounds)

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15 pages, 1404 KB

Open AccessArticle

Catechin Augments the Antifungal Efficacy of Fluconazole Against Candida parapsilosis

by Nora Tóth Hervay, Alexandra Konečná, Daniel Eliaš, Petra Kocúreková, Juraj Jacko, Hanka Súlovská, Libuša Šikurová and Yvetta Gbelská

Int. J. Mol. Sci. 2026, 27(2), 620; https://doi.org/10.3390/ijms27020620 - 7 Jan 2026

Cited by 1 | Viewed by 471

Abstract

The rising global incidence of Candida parapsilosis infections is increasingly complicated by antifungal resistance, resulting in frequent therapeutic failure. This study investigated the potential of the natural compound catechin to enhance the efficacy of fluconazole through synergistic interaction. We evaluated the susceptibility of C. parapsilosis clinical isolates and a reference strain to combinations of catechin and fluconazole using standardized microbiological assays and molecular techniques. In vivo efficacy was assessed using the Galleria mellonella infection model. Mechanistic studies included the measurement of intracellular reactive oxygen species (ROS) production and plasma membrane permeability. Catechin alone caused growth retardation in all strains. However, the combination of catechin and fluconazole resulted in complete growth inhibition of the reference strain and significant growth reduction in azole-resistant clinical isolates. While the combination slightly increased intracellular ROS production, no significant changes in plasma membrane permeability or membrane potential were observed. Notably, catechin induced the expression of the resistance-associated genes CpTAC1 and CpCDR1B in resistant isolates. In vivo experiments demonstrated that catechin significantly reduced mortality in G. mellonella larvae infected with C. parapsilosis. These findings suggest that catechin is a promising candidate for developing synergistic antifungal therapies against resistant Candida species. Full article

(This article belongs to the Special Issue Biological Study of Plant Bioactive Compounds)

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18 pages, 631 KB

Open AccessArticle

Evaluation of the Antimicrobial, Cyto-Genotoxic, and Antigenotoxic Activity of Dipteryx odorata Seed Extracts

by Margarita Dormousoglou, Ioannis Galiatsatos, Panagiota Stathopoulou, Regina Fragkouli, Maria Antonopoulou, Damian E. L. Fetzer, Marcos L. Corazza, Vasilios Triantafylidis, George Tsiamis, Dimitris Vlastos and Ioanna Efthimiou

Int. J. Mol. Sci. 2026, 27(2), 561; https://doi.org/10.3390/ijms27020561 - 6 Jan 2026

Cited by 1 | Viewed by 562

Abstract

In the present study, Dipteryx odorata seeds (tonka beans) were extracted via the Soxhlet method to acquire ethanolic (TBSE) and hexane (TBSH) extracts. Both extracts were characterized using Gas Chromatography–Mass Spectrometry (GC-MS). The antimicrobial activity was evaluated against two Gram-positive (Bacillus licheniformis, Staphylococcus epidermidis) and two Gram-negative (Escherichia coli, Pseudomonas aeruginosa) human pathogens using the disc diffusion test (DDT), followed by the determination of Minimum Inhibitory Concentrations (MIC). The Cytokinesis-Block Micronucleus (CBMN) assay was applied in human lymphocytes (0.1, 0.2, 0.5 µL/mL), to investigate the cyto-genotoxic activity of both extracts, while their antigenotoxic potential was evaluated against mitomycin C (MMC) (0.5 μg/mL). Coumarin was the major constituent in both extracts. TBSE exhibited remarkable antimicrobial activity, whereas TBSH was not equally potent. Cytotoxicity was reported for higher doses, while no genotoxicity was observed, except for 0.2 µL/mL for TBSE. A considerable antigenotoxic activity was shown by the lowest dose of TBSE, which was not present at the two highest concentrations. However, TBSH did not diminish the MMC mediated genotoxicity, while at the same time led to an increase in genotoxic potency. To our knowledge, this is the first comprehensive evaluation of the cyto-genotoxic and antigenotoxic profiles of tonka bean extracts. Full article

(This article belongs to the Special Issue Biological Study of Plant Bioactive Compounds)

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18 pages, 3948 KB

Open AccessArticle

Integrating Experimental and Computational Approaches to Cardioprotection: Vascular Reactivity, Molecular Docking, and ADMET Modeling of Melicoccus bijugatus (Guinep)

by Keaton Logan, Javier Palacios, Sussan Lopez, Wesley Gray and Chukwuemeka R. Nwokocha

Int. J. Mol. Sci. 2025, 26(20), 10228; https://doi.org/10.3390/ijms262010228 - 21 Oct 2025

Viewed by 945

Abstract

Melicoccus bijugatus (Guinep) is traditionally consumed in the Caribbean and Latin America for its health benefits, yet its cardiovascular effects remain underexplored. This study investigated the therapeutic potential of Guinep by combining experimental and computational approaches. The biological evaluation of the Guinep extract was conducted by assessing the effects of modulating Angiotensin-Converting Enzyme (ACE), Angiotensin II Type 1 Receptor (AT1R), and Voltage-Gated Calcium Channels (VGCC) on vascular reactivity. Metabolites previously identified by high-resolution UHPLC-Q-Orbitrap mass spectrometry were further examined using in silico tools, including ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) prediction (pkCSM), biological activity prediction (PASS server), and molecular docking (AutoDock Vina) against cardiovascular targets (ACE: PDB 1O86, AT1R: PDB 4ZUD, VGCC: PDB 8WE8). Docking results revealed that phytochemicals such as isorhamnetin-3-O-glucoside and 3-O-caffeoylquinic acid displayed strong binding affinities with ACE (−9.3 and −8.5 kcal/mol), AT1R (−8.2 and −7.6 kcal/mol), and VGCC (−8.6 and −7.6 kcal/mol), in several cases matching or surpassing standard antihypertensive drugs. Key hydrogen bond interactions closely resembled those of reference ligands, suggesting pharmacophoric similarity. ADMET modeling confirmed favorable pharmacokinetic profiles and low predicted toxicity, supporting their drug-like potential. These findings are consistent with in vivo evidence of Guinep’s hypotensive, antioxidant, and vasodilatory properties. Vascular relaxation of Guinep extract was predominantly mediated by blockade of VGCC (53%) and AT1R (48%), while ACE inhibition accounted for 24%. Collectively, the results demonstrate that Guinep contains bioactive phytochemicals with multitarget cardiovascular activity, particularly as ACE, AT1R, and VGCC modulators. This study validates the traditional use of Guinep. Full article

(This article belongs to the Special Issue Biological Study of Plant Bioactive Compounds)

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Review

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16 pages, 1593 KB

Open AccessReview

Unlocking the Potential Use of Berry Anthocyanins as Pharmaceutical Excipients and Nanocarriers: Evidence from the Last Decades

by Ana C. Gonçalves, Maria de São-José Matias, Rafael Fonseca and Luís R. Silva

Int. J. Mol. Sci. 2026, 27(6), 2562; https://doi.org/10.3390/ijms27062562 - 11 Mar 2026

Viewed by 477

Abstract

Secondary metabolites, particularly natural phenolic compounds, have been a target of many studies and are a hot issue in the medical and scientific communities, due to their diverse biological activities, including antioxidant, anti-inflammatory, and antimicrobial effects. This bioactive potential has raised the prospect of their application as pharmaceutical excipients and nanocarriers. Among them, anthocyanins, which are abundant in berries and highly valued by consumers, stand out as promising candidates. Their chemical structure not only enables them to protect drugs from oxidative degradation but also supports their role in drug delivery systems, particularly under acidic conditions. Moreover, their pH-dependent color changes make them suitable as eco-friendly indicators and sensors. The current review aims to summarize recent advances on the excipient and nanocarrier potential of berry phenolics. Although current data on anthocyanins as excipients and nanocarriers remain limited, available evidence highlights their potential and urges additional in vitro, in vivo, and clinical studies. Full article

(This article belongs to the Special Issue Biological Study of Plant Bioactive Compounds)

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25 pages, 2544 KB

Open AccessReview

Ginseng Biomacromolecules: Integrating Nutrition and Health, a New Direction in Phytomedicine

by Ying Liu, Jiawei Li, Chen Chen, Mengyang Wang, Min Zhang and Wei Liu

Int. J. Mol. Sci. 2026, 27(5), 2151; https://doi.org/10.3390/ijms27052151 - 25 Feb 2026

Viewed by 644

Abstract

As a traditional dual-purpose ingredient for both medicine and food, the biomacromolecules in Panax ginseng include polysaccharides, pectin, exosomes, proteins and dietary fiber. Due to their unique chemical structures, physiological activities, and processing adaptability, these components have achieved diversified applications in the medical field, becoming one of the core raw materials for functional food development. Modern research shows that the biomacromolecules found in ginseng can regulate the body’s immunity, antioxidant and anti-tumor properties, as well as antibacterial properties and the ability to enhance the body’s metabolic capacity, demonstrating significant application potential in healthcare-related fields. Recent studies have found that in addition to the root, the stems, leaves, fruits and flowers of P. ginseng also contain various effective components such as ginseng polysaccharides and pectin, which have enhanced the utilization value of ginseng plant resources. Ginseng biomacromolecules can not only replace antibiotics but also improve the production performance of animals by influencing the structure of intestinal flora, providing raw materials for the selection and application of natural feed additives for animals. This review summarizes the latest research findings on the pharmacological properties and practical applications of ginseng-derived biomolecules. It primarily addresses the structural characteristics, pharmacological activities, and current applications in health and medicine of biomolecules such as ginseng polysaccharides, ginseng exosomes, ginseng proteins, and ginseng dietary fiber. It aims to provide a fresh perspective and a solid theoretical foundation for the in-depth development of ginseng in the fields of medicine and molecular biology. Full article

(This article belongs to the Special Issue Biological Study of Plant Bioactive Compounds)

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