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Bioactive Natural Compounds: From Discovery to Applications

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A special issue of Applied Sciences (ISSN 2076-3417). This special issue belongs to the section "Biomedical Engineering".

Deadline for manuscript submissions: 30 November 2026 | Viewed by 2904

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Dr. Marta Klimek-Szczykutowicz

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Department of Pharmaceutical Sciences, Collegium Medicum, Jan Kochanowski University in Kielce, IXWieków Kielc 19a, 25-516 Kielce, Poland
Interests: plant biotechnology; pharmaceutical botany; cosmetic plants; medicinal plants; phytochemistry; bioactive compounds; natural products; natural antioxidants
Special Issues, Collections and Topics in MDPI journals

Dr. Małgorzata Wrzosek

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Department of Pharmaceutical Sciences, Collegium Medicum, Jan Kochanowski University in Kielce, IXWieków Kielc 19a, 25-516 Kielce, Poland
Interests: biochemistry; molecular biology; obesity; diabetes; cancers; pharmacy; active substances; natural products; natural therapies
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Bioactive natural compounds, derived from plants, microorganisms, and marine organisms, have attracted enhanced attention due to their diverse biological activities and potential applications in medicine, food, agriculture, and industry. With the rapid development of analytical techniques, biotechnology, and synthetic approaches, significant progress has been made in the discovery, characterization, and functional evaluation of these compounds.

This Special Issue aims to highlight the latest research on bioactive natural compounds, covering the entire process from discovery and structural elucidation to functional studies and practical applications. We will pay particular attention to studies that address mechanisms of action, innovative extraction and synthesis methods, pharmacological potential, cosmetic, food and nutraceutical applications, as well as safety and sustainability considerations.

We welcome the submission of original research articles, reviews, and case studies that contribute to the advancement of knowledge in this exciting and interdisciplinary field.

Dr. Marta Klimek-Szczykutowicz
Dr. Małgorzata Wrzosek
Guest Editors

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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. Applied Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

bioactive natural compounds
natural products discovery
structure elucidation
pharmacological activities
antioxidant and antimicrobial agents
nutraceuticals and functional foods
extraction and purification techniques
biotechnological production of natural compounds
marine and microbial metabolites
sustainable applications of natural products

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Published Papers (6 papers)

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Research

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15 pages, 2738 KB

Open AccessArticle

Impact of Preservation Techniques on Polyphenols in Aronia melanocarpa Pomace and Their Recovery by Optimized Accelerated Solvent Extraction

by Jan Sawicki, Weronika Wójciak, Magdalena Żuk, Sławomir Dresler, Ireneusz Sowa, Agnieszka Skalska-Kamińska and Magdalena Wójciak

Appl. Sci. 2026, 16(9), 4116; https://doi.org/10.3390/app16094116 - 23 Apr 2026

Viewed by 262

Abstract

The valorization of agro-industrial by-products is of increasing importance within circular economy strategies. Aronia melanocarpa pomace, a by-product of juice production, represents a valuable source of polyphenols with potential applications in food, nutraceutical, and cosmetic formulations. This study aimed to evaluate the effect of different preservation methods on the polyphenolic composition of Aronia pomace and to optimize accelerated solvent extraction (ASE). Pomace samples were subjected to drying, freeze-drying, freezing (−18 °C), and deep freezing (−80 °C). UAE was applied as a rapid screening method for polyphenol extraction, while ASE was used as an advanced technique for efficient recovery of target compounds. ASE parameters, including temperature (40–120 °C), methanol concentration (40–100%), and number of extraction cycles (1–3), were optimized using response surface methodology (RSM) based on a Box–Behnken design. Qualitative and quantitative analyses were performed using UHPLC–MS and HPLC–DAD. The developed models were statistically significant (p < 0.01) with high coefficients of determination (R² = 0.88–0.97). Temperature had a positive effect on phenolic acid extraction but negatively affected anthocyanins due to thermal degradation. Optimal extraction conditions differed between compound groups: phenolic acids were maximized at 120 °C and 75% methanol (two cycles), while anthocyanins required milder conditions (82 °C, 92% methanol, three cycles). Moreover, our study showed that drying significantly reduced the content of several compounds, particularly anthocyanins, whereas low-temperature methods had minimal impact. The results highlight the importance of tailored extraction strategies and support the sustainable utilization of Aronia pomace as a source of bioactive compounds. Full article

(This article belongs to the Special Issue Bioactive Natural Compounds: From Discovery to Applications)

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24 pages, 2439 KB

Open AccessArticle

Improving the Solubility of Formononetin and Enabling Hydrogel-Based Wound-Oriented Applications Through the Effect of Hot-Melt Extrusion

by Anna Gościniak, Natalia Rosiak, Miłosz Ignacyk, Barbara Kaproń-Plech, Piotr Trzaskoma, Bozena Michniak-Kohn and Judyta Cielecka-Piontek

Appl. Sci. 2026, 16(4), 1975; https://doi.org/10.3390/app16041975 - 17 Feb 2026

Viewed by 442

Abstract

Isoflavones are plant-derived polyphenols with broad biological activity; however, their application in topical formulations is limited by poor aqueous solubility. The aim of this study was to enhance the aqueous solubility of formononetin using a solvent-free hot-melt extrusion (HME) approach and to enable its incorporation into a hydrogel formulation suitable for skin delivery. Amorphous formononetin-based systems were prepared by HME using polymeric carriers and hydroxypropyl-β-cyclodextrin, with and without prior inclusion complex formation. The resulting formulations were characterized using XRPD, DSC, and FT-IR/ATR to assess amorphization and intermolecular interactions. Aqueous solubility and skin permeability were evaluated using solubility testing, PAMPA, and Franz diffusion cells. The optimized amorphous system exhibited a substantial increase in apparent aqueous solubility compared to crystalline formononetin while maintaining comparable permeability. Cyclodextrin–formononetin interactions were effectively generated during the extrusion process, rendering pre-inclusion unnecessary. The selected system was successfully incorporated into a hydrogel matrix. This study demonstrates that solvent-free HME combined with cyclodextrins is an effective strategy for improving formononetin solubility and enabling its application in hydrogel-based topical delivery systems. Full article

(This article belongs to the Special Issue Bioactive Natural Compounds: From Discovery to Applications)

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22 pages, 3329 KB

Open AccessArticle

Application of Hot-Melt Extrusion in Modifying the Solubility of Lycopene

by Anna Kulawik, Kamil Wdowiak, Maciej Kulawik, Natalia Rosiak, Magdalena Paczkowska-Walendowska, Judyta Cielecka-Piontek and Przemysław Zalewski

Appl. Sci. 2026, 16(1), 17; https://doi.org/10.3390/app16010017 - 19 Dec 2025

Cited by 1 | Viewed by 594

Abstract

Lycopene is a potent antioxidant carotenoid with significant health-promoting properties. However, its practical application is limited by poor water solubility. This study aimed to enhance lycopene dispersibility through the development of solid dispersions obtained by hot-melt extrusion (HME). Polymeric carriers composed of polyvinylpyrrolidone K30 (PVP K30), phosphatidylcholine, and xylitol were designed to achieve optimal processing conditions and thermal stability. Nine formulations containing 10–30% lycopene were prepared and characterized using thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), X-ray powder diffraction (XRPD), Fourier transform infrared spectroscopy (FT-IR), and dispersibility testing. TGA confirmed the thermal stability of lycopene at the extrusion temperature (150 °C). DSC and XRPD analyses indicated partial amorphization of lycopene in the extrudates, while FT-IR spectra revealed molecular interactions between lycopene and carrier components, particularly hydroxyl and carbonyl groups. Among the tested systems, the formulation containing PVP K30 and xylitol without phosphatidylcholine exhibited the highest dispersibility (1.0484 mg/mL after 3 h). Dispersibility decreased with increasing lycopene content. These findings demonstrate that HME is an effective technique for producing partially amorphous lycopene dispersions with improved dispersibility, and that polymer–polyol systems are particularly promising carriers for enhancing lycopene bioavailability. Full article

(This article belongs to the Special Issue Bioactive Natural Compounds: From Discovery to Applications)

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16 pages, 890 KB

Open AccessArticle

Characteristics of Functional Cookies with Added Cranberries (Vaccinium oxycoccos) in the Form of a Polyphenol Preparation and a Microencapsulated Preparation

by Natalia Żurek and Ireneusz Tomasz Kapusta

Appl. Sci. 2025, 15(24), 13060; https://doi.org/10.3390/app152413060 - 11 Dec 2025

Viewed by 695

Abstract

This study assessed the effect of adding a cranberry polyphenol preparation in powder and microcapsule form to cookies on their physicochemical properties, polyphenol composition, health-promoting activity, and biocompatibility with normal human colonocytes. Cranberry powder was obtained by purifying the polyphenolic compounds, while microcapsules were obtained by encapsulating the powder in a mixture of sodium alginate and soy protein isolate. Cookies were prepared with 0.5, 1, 3 and 5% microcapsules, and 0.04, 0.08, 0.23 and 0.38% powder. The study showed that physicochemical parameters such as moisture, spreadability index, baking loss, hardness, and color significantly depended on the type and amount of the additive. Higher total polyphenol content was observed for cookies with powder (13.22 mg/100 g; P_0.38), analyzed by using ultra-performance liquid chromatography (UPLC). The addition of microencapsulated powder increased the degree of anthocyanin preservation by 57.9% (primarily cyanidin 3-O-glucoside). The highest antioxidant activity, measured by cation radical scavenging activity (ABTS), copper ion reduction (CUPRAC), superoxide radical (O₂⁻) and hydroxyl radical (OH˙) scavenging capacity tests, was observed for cookies with a 0.38% addition of polyphenol powder. These cookies also demonstrated the highest antidiabetic activity (α-amylase and α-glucosidase inhibition of 40.23 and 15.79%, respectively). All tested cookies also demonstrated high biocompatibility with human colonocytes. These findings contribute to the development of innovative functional bakery products with stable anthocyanin forms. Full article

(This article belongs to the Special Issue Bioactive Natural Compounds: From Discovery to Applications)

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Review

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31 pages, 1162 KB

Open AccessReview

Rethinking Acne Vulgaris: The Gut–Skin Axis as a Central Mechanism and Therapeutic Target

by Kamila Łukańko, Patrycja Lipska, Julia Sobczak, Julia Lorek and Anna Duda-Madej

Appl. Sci. 2026, 16(9), 4527; https://doi.org/10.3390/app16094527 - 4 May 2026

Abstract

Acne vulgaris is a chronic inflammatory disease of the pilosabaceous unit with a multifactorial pathogenesis involving sebaceous gland activity, follicular hyperkeratinization, microbial dysbiosis, and immune dysregulation. Increasing attention has been given to the role of the skin and gut microbiome, as well as the gut–skin axis, although their clinical significance has not yet been fully explained. This review critically evaluates the current evidence regarding the use of probiotics, prebiotics, and synbiotics in the treatment of acne. Available studies suggest that microbiome-targeted interventions may influence inflammatory pathways, microbial composition, and metabolic regulators such as IGF-1 and mTORC1. Some clinical trials indicate improvements in acne severity and skin parameters following oral or local interventions. However, the evidence is heterogeneous and limited by small sample sizes, short study durations, and variability in formulations and outcomes. Therefore, although microbiome-based strategies may have potential as adjunctive therapy, their clinical efficacy remains uncertain. Further, well-designed, large-scale studies are needed to determine their role in dermatological practice. Full article

(This article belongs to the Special Issue Bioactive Natural Compounds: From Discovery to Applications)

22 pages, 6122 KB

Open AccessReview

Nutritional and Therapeutic Potential of Underutilised Fruits from Sri Lanka

by Hashini Gunasekara Senarath Gunasekara Vidana Ralalage Dona and Sunil K. Panchal

Appl. Sci. 2026, 16(8), 3975; https://doi.org/10.3390/app16083975 - 19 Apr 2026

Viewed by 461

Abstract

Sri Lanka provides a home for a significant number of fruit species, and yet most of them are underutilised due to a lack of awareness regarding their therapeutic potential. Different plant parts from these fruits have been used for centuries to cure various diseases in traditional medicine, as fodder and to overcome hunger. Despite having remarkable health benefits and being resistant to extreme environmental conditions, these fruits are still confined to home gardens and forests, while some commercially cultivated major fruits remain dominant in the market. Hence, gathering information on the nutritional and health benefits of these fruit species will enhance people’s awareness, ensure food security through value-added food product development, facilitate livelihoods for rural farmers and also establish long-term sustainability. The main objective of this review is to highlight the phytochemical potential of some underutilised fruit varieties in Sri Lanka while exploring their health-promoting aspects, including antioxidant, anti-cancer, anti-diabetic, cardioprotective, anti-inflammatory and cytoprotective properties. Many research studies have been conducted on commonly available major fruits. However, there is a notable gap in research that explores pharmacological aspects of these fruits. Further research is warranted in developing methods for sustainable harvesting and postharvest practices for underutilised fruits from Sri Lanka. Characterisation of health benefits associated with underutilised fruits will help to develop awareness about their potential and possibly foster commercial interest. Developing nutraceuticals or functional foods from these fruits will help us to focus on enhancing their sustainable production. Full article

(This article belongs to the Special Issue Bioactive Natural Compounds: From Discovery to Applications)

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