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Biologically Active Molecules: Extraction Strategies, Therapeutic Potential and Biomedical Perspective

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

Deadline for manuscript submissions: 31 May 2026 | Viewed by 8852

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Special Issue Editor

Dr. Grażyna Zgórka

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Guest Editor

Department of Pharmacognosy with the Medicinal Plant Garden, Faculty of Pharmacy, Medical University of Lublin, 20-093 Lublin, Poland
Interests: plant polyphenols; chemoprevention; advanced phytochemical analysis; herbal medicinal products
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

You are cordially invited to submit articles for inclusion in a new Special Issue covering a broad spectrum of research topics relating to biologically active molecules, including their isolation from plant materials, their therapeutic and biomedical profiling, and considerations of practical future applications to improve human health.

Advanced phytochemical techniques based on highly sophisticated scientific instrumentation have resulted in controlled and effective extraction strategies for isolating biologically active plant components and developing quality-controlled, validated analytical methods. This has paved the way for modern biological and pharmacological studies and the assessment of the therapeutic potential of both plant isolates and standardised herbal drug preparations.

The scope of this Special Issue will specifically focus on obtaining biologically active phytochemicals using traditional or assisted (including ultrasound or microwave-assisted and pressurised liquid) organic solvent extraction techniques, as well as those utilising green ecological extractants. Parallel to phytochemical studies, we welcome contributions underlining the biological or toxicological effects of herbal components and preparations, as well as research insights pointing to future directions for scientific research and suggestions for the biomedical/therapeutic application of natural products.

Dr. Grażyna Zgórka
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. 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

natural bioactive components
extraction techniques
therapeutic and biomedical profiling

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Published Papers (6 papers)

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Research

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16 pages, 1122 KB

Open AccessArticle

Extracts from By-Products of the Fruit and Vegetable Industry as Ingredients Improving the Properties of Cleansing Gels

by Agata Blicharz-Kania, Magdalena Iwanek and Anna Pecyna

Molecules 2025, 30(24), 4687; https://doi.org/10.3390/molecules30244687 - 7 Dec 2025

Viewed by 271

Abstract

This study aimed to evaluate the effect of adding extracts obtained from by-products on the physicochemical and functional properties of cleansing gels. Micellar extraction (2% decyl glucoside solution in water) was performed on secondary raw materials: banana peel (BP), pomegranate peel (PP), tomato pomace (TP), and grape pomace (GP). The extracts were analyzed for soluble substances and active compounds (polyphenols, carotenoids, and vitamin C). Cleansing gels containing plant extracts were also prepared and evaluated for their color and physicochemical and functional properties. The extracts contained natural polyphenols (10.99–16.54 mg·100 mL⁻¹), carotenoids (1.391–2.402 mg·mL⁻¹), and vitamin C (0.651–1.529 mg·100 mL⁻¹). The extract-enriched gels showed altered color (lower brightness, greater redness and yellowness), enhanced foaming properties, and modified viscosity (402.9–416.8 mPA for BP and GP; lower for PP and TP). The pH of the gels ranged from 5.391 to 5.917, which is within the physiological range of human skin. Dissolution times were reduced by up to 60% compared to the control, with PP extract producing the shortest time of 15.7 min. These results indicate that plant by-product extracts can improve both the functional performance and skin compatibility of cleaning gels. Full article

(This article belongs to the Special Issue Biologically Active Molecules: Extraction Strategies, Therapeutic Potential and Biomedical Perspective)

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15 pages, 1776 KB

Open AccessArticle

Selected Biochemical Properties of Medicinal Plant (Urtica dioica L.) Leaves in Relation to the Enzymatic Activity of Soils Exposed to the Impact of Road Traffic

by Joanna Lemanowicz and Iwona Jaskulska

Molecules 2025, 30(21), 4298; https://doi.org/10.3390/molecules30214298 - 5 Nov 2025

Viewed by 389

Abstract

This study examined the impact of distance from the road traffic on soil enzymatic activity, which we used as a tool to assess the relationship between soil and common nettle (Urtica dioica L.) used in herbalism and phytotherapy. A section of national road No. 10 (DK10) was selected for the study. Soil and common nettle leaf samples were collected from locations 5 m, 15 m, 25 m, and 100 m away from the road traffic and a control location (C). The activity of catalase (CAT), dehydrogenases (DEH), alkaline phosphatase (AlP), acid phosphatase (AcP), protease (PRO) and β-glucosidase (BG) was examined in the soil. Soil quality indices (RCh, RS, AlP/AcP, GMea, TEI) were calculated based on the enzyme activity results. The leaves of common nettles were tested for chlorophylls a and b (Chl a and b), carotenoids (Car), ascorbic acid (AAC), pH, relative water content (RWC), catalase (CATp) and superoxide dismutase (SOD) activity. Based on the values of Chl a+b, Car, pH, and RWC, the air pollution tolerance index (APTI) was calculated. The activity of the tested enzymes was statistically lowest in soil collected 5 m from traffic compared to the control (C), which was also confirmed by the results of the enzymatic soil quality indicators. In the case of CAT, AlP, AcP, and BG, based on the coefficient of determination (R2), it was found that over 70% of the variability of these enzymes was related to the distance from the road. It was found that the content of Ch a and b, Car, AAC, RWC, and pH was also lowest in soil 5 m away, whereas the activity of the antioxidant enzymes CATp and SOD was highest at this point. The ATPI values determined in common nettle leaf samples collected from locations 5 m, 15 m, 25 m, and 100 m from the road traffic were sensitive to pollution. The results indicate that the distance from the road strongly influenced the changes in the parameters studied. The enzymatic properties of the soil and selected biochemical parameters of common nettle leaves were similar at locations 15 m and 25 m, as well as 100 m and the control. The results of the enzymatic soil quality indicators show that soil 5 m from the road traffic is subject to degradation, and the nettles growing in this location are sensitive to road pollution. Therefore, it is not recommended to collect common nettle leaves from this location for medical or cosmetic purposes. Full article

(This article belongs to the Special Issue Biologically Active Molecules: Extraction Strategies, Therapeutic Potential and Biomedical Perspective)

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17 pages, 2243 KB

Open AccessArticle

Phytochemical Analysis and Chymotrypsin Inhibitory Potential of Galium sp. and Solidago sp. via Effect-Directed HPTLC Bioassay

by Bartosz Rył and Izabela Jasicka-Misiak

Molecules 2025, 30(13), 2746; https://doi.org/10.3390/molecules30132746 - 26 Jun 2025

Viewed by 1058

Abstract

Chymotrypsin inhibitors were initially considered mainly as anti-nutritional factors. However, the potential for their use as therapeutics has been recognized, particularly in the control of cancer, neurodegenerative diseases, and inflammatory processes. The search for new, effective, and safe chymotrypsin inhibitors has become important not only for food and feed safety reasons, but also in the search for new compounds with potential for use in the pharmaceutical industry. Oxidative stress is also an integral etiological factor in the development of the aforementioned pathological conditions. Antioxidants supplied with food can have an impact on reducing the probability of developing these diseases. Herbaceous plants are a valuable reservoir of biologically active chemical compounds, which can show both inhibitory effects against a number of enzymatic reactions and have antioxidant activity. The compounds found within them are also often characterized by higher bioavailability and safety than their synthetic analogs. In the present study, phytochemical characterization of plant materials Galium aparine L., Galium verum L., Solidago virgaurea L. and Solidago canadensis L. was performed, in order to search for new, potential substances with chymotrypsin inhibitor and antioxidant properties. Antioxidant and inhibitory activities against chymotrypsin were determined using effect-directed HPTLC. The total content of phenolic compounds and flavonoids and antioxidant activity were also determined in UV-Vis spectrophotometric tests. Both plant species showed antioxidant and chymotrypsin inhibitory activity. Among the methanol and methanol:water extracts, the extracts from Solidago sp. showed stronger inhibitory and antioxidant activity. However, in the case of dichloromethane extracts, Galium aparine inhibited chymotrypsin activity in a stronger manner than Solidago sp. The results indicate the application potential of compounds obtained from these plants as chymotrypsin inhibitors and antioxidant agents. Full article

(This article belongs to the Special Issue Biologically Active Molecules: Extraction Strategies, Therapeutic Potential and Biomedical Perspective)

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22 pages, 2687 KB

Open AccessArticle

Isomeric 3-Pyridinylmethylcoumarins Differ in Erk1/2-Inhibition and Modulation of BV2 Microglia-Mediated Neuroinflammation

by Rami Schulzki, Matthias Apweiler, Caroline Röttger, Christoph W. Grathwol, Nora Struchtrup, Sophia Abou El Mirate, Claus Normann, Stefan Bräse and Bernd L. Fiebich

Molecules 2025, 30(11), 2452; https://doi.org/10.3390/molecules30112452 - 3 Jun 2025

Viewed by 1148

Abstract

Coumarins are known for their multiple biological effects and have been established as anti-coagulative drugs for years. Furthermore, some coumarins can promote anti-inflammatory effects via the GPR55 receptor, and dual target coumarins have been synthesized. Anti-inflammatory drugs might be beneficial in the treatment of neuropsychiatric disorders, as the inflammatory hypothesis suggests. For the current study, we compared isomeric 3-pyridinylmethylcoumarins with altered N-atom position regarding their effects on cytokine and chemokine synthesis and expression in LPS-stimulated BV2 microglial cells. The 3-pyridin-4-yl-methylcoumarin showed the most potent anti-inflammatory effects, followed by the 3-pyridin-2-ylmethylcoumarin analog. The observed effects might be mediated by an inhibition of ERK phosphorylation. Full article

(This article belongs to the Special Issue Biologically Active Molecules: Extraction Strategies, Therapeutic Potential and Biomedical Perspective)

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30 pages, 2648 KB

Open AccessReview

Advancing Brain Health Naturally: β-Caryophyllene and Xanthohumol as Neuroprotective Agents

by Stanislava Ivanova, Zoya Dzhakova, Velislava Todorova, Radka Boyuklieva, Plamen Simeonov and Plamen Katsarov

Molecules 2025, 30(18), 3702; https://doi.org/10.3390/molecules30183702 - 11 Sep 2025

Viewed by 1794

Abstract

Neurodegenerative diseases (NDDs) represent a class of incurable and progressive disorders characterized by the gradual degeneration of the structure and function of the nervous system, particularly the brain and spinal cord. A range of innovative therapeutic approaches is currently under investigation, such as stem cell-based therapies, gene-editing platforms such as CRISPR, and immunotherapies directed at pathogenic proteins. Moreover, phytochemicals such as β-caryophyllene and xanthohumol have demonstrated significant neuroprotective potential in preclinical models. These natural agents exert multifaceted effects by modulating neuroinflammatory pathways, oxidative stress responses, and aberrant protein aggregation—pathological mechanisms that are central to the development and progression of neurodegenerative disorders. Recent investigations have increasingly emphasized the optimization of the pharmacokinetic properties of β-caryophyllene and xanthohumol through the development of advanced drug-delivery systems, including polymer- and lipid-based nano- and microscale carriers. Such advancements not only enhance the bioavailability and therapeutic potential of these phytochemicals but also underscore their growing relevance as natural candidates in the development of future interventions for neurodegenerative disorders. Full article

(This article belongs to the Special Issue Biologically Active Molecules: Extraction Strategies, Therapeutic Potential and Biomedical Perspective)

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16 pages, 585 KB

Open AccessReview

The Role of Lactoferrin in Combating Candida spp. Infections Through Regulation of Oxidative Stress, Immune Response, and Nutritional Support in Women and Newborns

by Anna Długosz, Joanna Wróblewska, Paweł Kołaczyk and Weronika Wróblewska

Molecules 2025, 30(11), 2416; https://doi.org/10.3390/molecules30112416 - 31 May 2025

Cited by 1 | Viewed by 3575

Abstract

Lactoferrin (LF) is a natural glycoprotein with strong antimicrobial, immunomodulatory, and nutritional potential and is widely present in milk and mucosal secretions. This paper aims to review the current knowledge on the application of lactoferrin and its bioactive peptides in the context of fungal infections caused by Candida spp., focusing on newborns and pregnant women as high-risk groups. The multifaceted mechanisms of LF action are discussed, including iron chelation, destabilization of fungal cell membranes, and modulation of the immune response. Additionally, data demonstrating the effectiveness of LF in the prevention and supportive treatment of Candida spp. infections are presented. Full article

(This article belongs to the Special Issue Biologically Active Molecules: Extraction Strategies, Therapeutic Potential and Biomedical Perspective)

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