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Phytochemical Profiling, Bioactivity, Biotechnology Studies and Practical Applications of Medicinal and Cosmetic Plants

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

Deadline for manuscript submissions: 31 December 2025 | Viewed by 4318

Special Issue Editors

Prof. Dr. Agnieszka Szopa

E-Mail Website
Guest Editor
Department of Pharmaceutical Botany, Medical College, Jagiellonian University, ul. Medyczna 9, 30-688 Kraków, Poland
Interests: pharmaceutical botany; plant biotechnology; phytochemistry; medicinal plants; cosmetic plants; natural products; bioactive compounds (especially lignans, phenolic acids, flavonoids); ethnobotany; ethnopharmacology
Special Issues, Collections and Topics in MDPI journals
Dr. Magdalena Anna Malinowska

E-Mail Website
Guest Editor Assistant
Institute of Organic Chemistry and Technology, Faculty of Chemical Engineering and Technology, Cracow University of Technology, Warszawska 24, 31-155 Cracow, Poland
Interests: plant material extraction; cosmetic chemistry and technology; metabolites analysis; polyphenols isolation and purification
Dr. Ekaterina-Michaela Tomou

E-Mail Website
Guest Editor Assistant
Section of Pharmacognosy & Chemistry of Natural Products, Department of Pharmacy, National and Kapodistrian University of Athens, Panepistimiopolis, Zografou, 15771 Athens, Greece
Interests: pharmacognosy; natural products chemistry; natural extracts characterization; profiling; bioactivity; metabolomics; isolation; ethnopharmacology; food chemistry; molecular networking; cosmetics

Special Issue Information

Dear Colleagues,

Natural products originating from the plant kingdom offer an unexplored opportunity for potential medicinal, health promoting, and cosmetic applications.

In recent years, special attention has been given to the isolation of individual plant-derived compounds, as well as searching for related innovative and alternative biotechnological methods.

Plant extracts and/or isolated compounds exhibiting numerous directions of biological activities, such as anti-inflammatory, anticancer, immunostimulating, or antimicrobial effects, as well as cardioprotective, neuroprotective, and antidiabetic activities, are also very significant. The cosmetic application of natural compounds (including anti-aging, antioxidant, brightening, protective, stimulating the synthesis of structural skin proteins, and supporting its natural renewal mechanisms) is gaining increasing importance. Identifying the key metabolites of plant extracts and utilizing them in the form of specialized topical formulations allows for the preservation of their biological activity and the maintenance of the effectiveness of the functional ingredients.

The main aim of the Special Issue, entitled “Phytochemical Profiling, Bioactivity, Biotechnology Studies and Practical Applications of Medicinal and Cosmetic Plants”, is to present the newest results of investigations and findings in the above-presented field. Results presenting the correlation between the chemical composition of extracts and/or isolated compounds or in vitro culture biomass and their biological activity are of high interest.

Original papers or review articles are welcome.

Prof. Dr. Agnieszka Szopa
Guest Editors

Dr. Magdalena Anna Malinowska
Dr. Ekaterina-Michaela Tomou
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 100 words) can be sent to the Editorial Office for announcement on this website.

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

  • plant metabolites
  • plant biotechnology
  • bioactive natural compounds
  • natural products metabolomics
  • pharmacological activity of natural compounds
  • cosmetic applications of natural compounds
  • isolation of natural compounds
  • essential oils
  • biological activity of natural compounds
  • in vitro approach
  • in vivo approach
  • clinical investigations
  • ethnopharmacological indications
  • ethnobotanical indications
  • technology of cosmetic formulations
  • skin permeability
  • irritating potential
  • agricultural practices

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Published Papers (5 papers)

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Research

29 pages, 1647 KiB  
Article
Cochlospermum angolense Welw ex Oliv: Phytochemical Profile, Antioxidant Activity, and Therapeutic Prospects
by Nsevolo Samba, Abdy Morales Barrios, Estela Guerrero De León, Cesar Raposo, Radhia Aitfella Lahlou, Joana Curto, Jesus M. Rodilla, Alejandro M. Roncero, David Diez and Lúcia Silva
Molecules 2025, 30(13), 2768; https://doi.org/10.3390/molecules30132768 - 27 Jun 2025
Viewed by 199
Abstract
The phytochemical investigation and evaluation of the antioxidant activity of the leaves, bark, and roots of Cochlospermum angolense Welw ex Oliv—a valued plant that is widely used in traditional Angolan medicine—hold significant importance. Compounds were extracted from the aforementioned plant using acetone and [...] Read more.
The phytochemical investigation and evaluation of the antioxidant activity of the leaves, bark, and roots of Cochlospermum angolense Welw ex Oliv—a valued plant that is widely used in traditional Angolan medicine—hold significant importance. Compounds were extracted from the aforementioned plant using acetone and ethanol and identified by HPLC-ESI-MSn. Both extracts demonstrated notable abilities to scavenge 2,2-diphenyl-1-picrylhydrazyl, nitric oxide, and superoxide radicals, as well as to inhibit lipid peroxidation. A HPLC analysis revealed a diverse array of bioactive compounds, including flavonoids, phenols, alkaloids, quinones, and terpenes, which help neutralize free radicals and protect cells against oxidative stress, thereby contributing to the prevention of various diseases. Moreover, the acetone and ethanol extracts proved to be excellent sources of antioxidants. For the first time, the present study identified new compounds never reported in this species, such as (+)-abscisic acid, angustine B, pinobanksin, dihydrogenistein, (−)-8-prenylnaringenin, isoquercetin, samandarine, dihydromyricetin, and eupatoriocromene, in the leaves, bark, and roots, marking a significant advance in the chemical characterization of C. angolense. These findings enhance our understanding of the bioactive phytochemicals and antioxidant properties of C. angolense and open new avenues for future therapeutic and pharmacological research, further supporting its traditional use in Angolan medicine. Full article
(This article belongs to the Special Issue Phytochemical Profiling, Bioactivity, Biotechnology Studies and Practical Applications of Medicinal and Cosmetic Plants)
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18 pages, 2842 KiB  
Article
Optimization of In Vitro Shoot Culture Parameters for Enhanced Biomass and Rosmarinic Acid Production in Salvia atropatana
by Wiktoria Ejsmont, Anna K. Kiss and Izabela Grzegorczyk-Karolak
Molecules 2025, 30(12), 2654; https://doi.org/10.3390/molecules30122654 - 19 Jun 2025
Viewed by 244
Abstract
Salvia atropatana is a medicinal plant native to Middle Eastern countries. It has been traditionally used in Turkish and Iranian folk medicine to treat infections, wounds, inflammatory diseases, spastic conditions, and diabetes. Its therapeutic potential has been attributed to its essential oil, polyphenolic [...] Read more.
Salvia atropatana is a medicinal plant native to Middle Eastern countries. It has been traditionally used in Turkish and Iranian folk medicine to treat infections, wounds, inflammatory diseases, spastic conditions, and diabetes. Its therapeutic potential has been attributed to its essential oil, polyphenolic acid, flavonoid, and diterpenoid content. The aim of the study was to determine the optimal conditions of in vitro S. atropatana shoot culture to enhance proliferation and secondary metabolite production. It examined the effects of various cytokinins and culture duration on culture growth parameters and phenolic compound accumulation. Exogenous cytokinin supplementation significantly enhanced shoot proliferation, with the highest proliferation ratio (6.3) observed with 1 and 2 mg/L 6-benzylaminopurine (BAP). Biomass accumulation was the highest at 0.5 mg/L BAP, followed by 1 and 2 mg/L meta-toplin (mTOP). Phenolic profiling identified nine compounds, with rosmarinic acid (RA) as the dominant metabolite. The highest RA content (16 mg/g dry weight) was achieved with 1 and 2 mg/L BAP and 0.5 mg/L of its ryboside. The TOPSIS (Technique for Order of Preference by Similarity to Ideal Solution) method identified 1 mg/L BAP as the optimal treatment, balancing high proliferation, biomass, and polyphenol accumulation. Extending culture duration to 50 days increased biomass and phenolic content reaching 19.25 mg/g dry weight. However, morphological changes, including apical necrosis, were observed, and a significantly longer cultivation period was needed, questioning the value of the procedure. This study provides a basis for scalable in vitro production of bioactive compounds in S. atropatana. Full article
(This article belongs to the Special Issue Phytochemical Profiling, Bioactivity, Biotechnology Studies and Practical Applications of Medicinal and Cosmetic Plants)
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19 pages, 814 KiB  
Article
The Effect of Bromine and Iodine on the Plant Growth, Phytochemical Composition and Antioxidant Capacity of Dandelion (Taraxacum officinale F.H. Wiggers Coll.) Plants
by Iwona Ledwożyw-Smoleń, Sylwester Smoleń, Marta Liszka-Skoczylas, Joanna Pitala and Łukasz Skoczylas
Molecules 2025, 30(10), 2239; https://doi.org/10.3390/molecules30102239 - 21 May 2025
Viewed by 391
Abstract
Iodine is a crucial microelement for humans, and iodine deficiencies may be reduced through the consumption of iodine-enriched plants. The possible effects of exogenous bromine regarding plant growth, iodine biofortification efficiency, and the chemical composition of cultivated plants have not been previously evaluated. [...] Read more.
Iodine is a crucial microelement for humans, and iodine deficiencies may be reduced through the consumption of iodine-enriched plants. The possible effects of exogenous bromine regarding plant growth, iodine biofortification efficiency, and the chemical composition of cultivated plants have not been previously evaluated. A two-year pot cultivation of dandelion was conducted, applying KBr and KIO3 in the following combinations: (1) Control, (2) 10 µM I, (3) 50 µM I, (4) 10 µM Br, (5) 50 µM Br, (6) 10 µM I + 10 µM Br, and (7) 50 µM I + 50 µM Br. An increased plant biomass indicated the low toxicity of the tested doses of I and Br for dandelion. However, a slightly increased antioxidant capacity in the leaves and roots and higher proline content in the leaves may suggest a potential stress effect of iodine and/or bromine accumulation for plants. The Br:I ratios observed in biofortified leaves and roots indicate the need to monitor bromine levels in soils or substrates used for plant cultivation in order to reduce the risk of excessive Br contents in iodine-enriched plants. Full article
(This article belongs to the Special Issue Phytochemical Profiling, Bioactivity, Biotechnology Studies and Practical Applications of Medicinal and Cosmetic Plants)
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13 pages, 6133 KiB  
Article
Specialized Metabolite Profiling-Based Variations of Watercress Leaves (Nasturtium officinale R.Br.) from Hydroponic and Aquaponic Systems
by Ivon Buitrago-Villanueva, Ricardo Barbosa-Cornelio and Ericsson Coy-Barrera
Molecules 2025, 30(2), 406; https://doi.org/10.3390/molecules30020406 - 19 Jan 2025
Viewed by 1116
Abstract
Watercress (Nasturtium officinale), a freshwater aquatic plant in the Brassicaceae family, is characterized by its high content of specialized metabolites, including flavonoids, glucosinolates, and isothiocyanates. Traditionally, commercial cultivation is conducted in submerged beds using river or spring water, often on soil [...] Read more.
Watercress (Nasturtium officinale), a freshwater aquatic plant in the Brassicaceae family, is characterized by its high content of specialized metabolites, including flavonoids, glucosinolates, and isothiocyanates. Traditionally, commercial cultivation is conducted in submerged beds using river or spring water, often on soil or gravel substrates. However, these methods have significant environmental impacts, such as promoting eutrophication due to excessive fertilizer use and contaminating water sources with pesticides. This study aimed to explore two emerging cultivation strategies, i.e., hydroponics and aquaponics, to grow watercress and evaluate its specialized metabolite content using an untargeted metabolomic approach. The goal was to characterize metabolic profiles, identify component variations, and assess changes in metabolite accumulation at two harvest times. Two culture systems (hydroponic and aquaponic) and two harvest stages (‘baby leaf’ and traditional harvest) were examined. The results revealed 23 key metabolites, predominantly glucosinolates and flavonoids, that significantly influenced the metabolic profile discrimination, with the aquaponic system yielding the highest diversity and relative abundance of metabolites (variable importance in the projection (VIP) > 1). Important condition-related compounds were identified via cross-validation (area under the curve (AUC) > 0.7), including isorhamnetin sophoroside–glucoside and gluconasturtiin at the traditional harvest in the hydroponic system and glucoarabin at the ‘baby leaf’ stage in the aquaponic system. These findings highlight the potential of aquaponic and hydroponic systems as sustainable alternatives for watercress cultivation, offering environmental benefits and enhanced metabolite quality. Full article
(This article belongs to the Special Issue Phytochemical Profiling, Bioactivity, Biotechnology Studies and Practical Applications of Medicinal and Cosmetic Plants)
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24 pages, 7360 KiB  
Article
Phytochemical Analysis, Biological Activities, and Docking of Phenolics from Shoot Cultures of Hypericum perforatum L. Transformed by Agrobacterium rhizogenes
by Oliver Tusevski, Marija Todorovska, Jasmina Petreska Stanoeva and Sonja Gadzovska Simic
Molecules 2024, 29(16), 3893; https://doi.org/10.3390/molecules29163893 - 17 Aug 2024
Cited by 2 | Viewed by 1708
Abstract
Hypericum perforatum transformed shoot lines (TSL) regenerated from corresponding hairy roots and non-transformed shoots (NTS) were comparatively evaluated for their phenolic compound contents and in vitro inhibitory capacity against target enzymes (monoamine oxidase-A, cholinesterases, tyrosinase, α-amylase, α-glucosidase, lipase, and cholesterol esterase). Molecular docking [...] Read more.
Hypericum perforatum transformed shoot lines (TSL) regenerated from corresponding hairy roots and non-transformed shoots (NTS) were comparatively evaluated for their phenolic compound contents and in vitro inhibitory capacity against target enzymes (monoamine oxidase-A, cholinesterases, tyrosinase, α-amylase, α-glucosidase, lipase, and cholesterol esterase). Molecular docking was conducted to assess the contribution of dominant phenolic compounds to the enzyme-inhibitory properties of TSL samples. The TSL extracts represent a rich source of chlorogenic acid, epicatechin and procyanidins, quercetin aglycone and glycosides, anthocyanins, naphthodianthrones, acyl-phloroglucinols, and xanthones. Concerning in vitro bioactivity assays, TSL displayed significantly higher acetylcholinesterase, tyrosinase, α-amylase, pancreatic lipase, and cholesterol esterase inhibitory properties compared to NTS, implying their neuroprotective, antidiabetic, and antiobesity potential. The docking data revealed that pseudohypericin, hyperforin, cadensin G, epicatechin, and chlorogenic acid are superior inhibitors of selected enzymes, exhibiting the lowest binding energy of ligand–receptor complexes. Present data indicate that H. perforatum transformed shoots might be recognized as an excellent biotechnological system for producing phenolic compounds with multiple health benefits. Full article
(This article belongs to the Special Issue Phytochemical Profiling, Bioactivity, Biotechnology Studies and Practical Applications of Medicinal and Cosmetic Plants)
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