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Biochemically Active Natural and Semisynthetic Products: Extraction, Characterization, and Application

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

Deadline for manuscript submissions: 28 February 2026 | Viewed by 1841

Special Issue Editor


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Guest Editor
Departamento de Química, Instituto de Ciências Exatas, Universidade Federal do Amazonas (UFAM), Setor Norte do Campus Universitário Senador Arthur Virgílio Filho, Avenida Rodrigo Otávio, 6.200, Coroado, Manaus 69080-900, AM, Brazil
Interests: phytochemistry; essential oils; chromatography; mass spectrometry; nuclear magnetic resonance; chemophenetic relationships; biological properties
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Plants, microorganisms, and, to a lesser extent, animals produce a wide and vastly diverse range of organic compounds, the vast majority of which do not appear to directly participate in their growth and development. These compounds, called specialized metabolites (secondary metabolites), often exhibit differential distribution among distinct taxonomic groups, and their functions—many of which remain unknown—are frequently being elucidated. Recognized for their structural complexities and biosynthetic pathways, these specialized metabolites, also known as natural products, remain a great mystery to be explored due to their broad application across various fields of knowledge. Interest in these natural products has largely been driven by their wide utility as dyes, polymers, fibers, glues, oils, waxes, flavoring agents, perfumes, and medicines. The recognition of the biological properties of numerous natural products has also fueled the search for new drugs, antibiotics, insecticides, and herbicides. These metabolites have spurred the development of separation techniques, spectroscopic and spectrometric approaches, as well as synthetic methodologies for obtaining these compounds and their derivatives, which are now quite common in organic chemistry laboratories worldwide. This special edition aims to explore the main methods used to extract, isolate, and purify these natural products, whether through conventional or more sophisticated methods, carefully describing the methodology employed, as in many cases there is adaptation and optimization during the experimental phase of these techniques that are not detailed, often leading to non-reproducible methodologies. Additionally, it seeks to present modern techniques used in the structural elucidation of these natural products and their applications across various areas of knowledge.

Potential themes for this special edition include:

  • Methods for extraction, isolation, and purification of natural and semisynthetic products
  • Techniques used in the identification and structural elucidation of natural and semisynthetic products
  • Techniques used in determining the absolute stereochemistry of natural and semisynthetic products
  • Studies on the bioavailability and bioaccessibility of natural and semisynthetic products
  • Chemical diversity of natural products using Molecular Networking
  • Evaluation of the biological properties of natural and semisynthetic products
  • Evaluation of other properties of natural and semisynthetic products in different fields of knowledge
  • Characterization of essential oils and applications
  • Formulation with natural and semisynthetic products, characterization, and applications

Prof. Dr. Emmanoel Vilaça Costa
Guest Editor

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

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Keywords

  • natural and semisynthetic products
  • extraction, isolation, and purification
  • identification and structural elucidation
  • biological properties
  • multidisciplinary applications

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Published Papers (4 papers)

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Research

23 pages, 3877 KiB  
Article
Enhancing Bioactive Compound Extraction from Rose Hips Using Pulsed Electric Field (PEF) Treatment: Impacts on Polyphenols, Carotenoids, Volatiles, and Fermentation Potential
by George Ntourtoglou, Chaido Bardouki, Andreas Douros, Nikolaos Gkanatsios, Eleni Bozinou, Vassilis Athanasiadis, Stavros I. Lalas and Vassilis G. Dourtoglou
Molecules 2025, 30(15), 3259; https://doi.org/10.3390/molecules30153259 - 4 Aug 2025
Viewed by 47
Abstract
Rose hips are rich in polyphenols, making them a promising ingredient for the development of functional fruit-based beverages. This study aimed to evaluate the effect of Pulsed Electric Field (PEF) extraction treatment on rose hip (RH) pulp to enhance the extraction of polyphenols, [...] Read more.
Rose hips are rich in polyphenols, making them a promising ingredient for the development of functional fruit-based beverages. This study aimed to evaluate the effect of Pulsed Electric Field (PEF) extraction treatment on rose hip (RH) pulp to enhance the extraction of polyphenols, carotenoids, and volatile compounds. Additionally, this study examined the impact of adding rose hip berries during different stages of carbohydrate fermentation on the resulting phenolic and aroma profiles. A control wort and four experimental formulations were prepared. Rose hip pulp—treated or untreated with PEF—was added either during fermentation or beforehand, and the volatiles produced were analyzed using GC-MS (in triplicate). Fermentation was carried out over 10 days at 20 °C using Saccharomyces cerevisiae and Torulaspora delbrueckii. At a 10:1 ratio, all beverage samples were subjected to physicochemical testing and HPLC analysis for polyphenols, organic acids, and carotenoids, as well as GC-MS analysis for aroma compounds. The results demonstrated that the use of PEF-treated rose hips significantly improved phenolic compound extraction. Moreover, the PEF treatment enhanced the aroma profile of the beverage, contributing to a more complex and appealing sensory experience. This research highlights the rich polyphenol content of rose hips and the potential of PEF-treated fruit as a natural ingredient to improve both the functional and sensory qualities of fruit-based beverages. Their application opens new possibilities for the development of innovative, health-promoting drinks in the brewing industry. Full article
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28 pages, 2736 KiB  
Article
Bioherbicidal Evaluation of Methanol Extract of Sorghum halepense L. Rhizome and Its Bioactive Components Against Selected Weed Species
by Jasmina Nestorović Živković, Milica Simonović, Danijela Mišić, Marija Nešić, Vladan Jovanović, Uroš Gašić, Ivana Bjedov and Slavica Dmitrović
Molecules 2025, 30(15), 3060; https://doi.org/10.3390/molecules30153060 - 22 Jul 2025
Viewed by 803
Abstract
Sorghum halepense (L.) Pers. (common name Johnson grass) is a perennial invasive weed that causes great harm worldwide, and its allelopathy has been demonstrated in a series of experiments. The present study offers new insights into its organ-specific phytochemical profiles using state-of-the-art metabolomic [...] Read more.
Sorghum halepense (L.) Pers. (common name Johnson grass) is a perennial invasive weed that causes great harm worldwide, and its allelopathy has been demonstrated in a series of experiments. The present study offers new insights into its organ-specific phytochemical profiles using state-of-the-art metabolomic technology and explores the effects of a methanol extract of S. halepense rhizomes (ShER) and its major bioactive compounds (p-hydroxybenzoic acid and chlorogenic acid) on three noxious weed species. The phytotoxic effects of ShER are reflected through the inhibition of seed germination and reduced seedling growth, which are accompanied by changes in the antioxidant system of seedlings. Phytotoxicity is species specific and concentration dependent, and it is more pronounced against Chenopodiastrum murale (L.) S. Fuentes, Uotila & Borsch and Datura stramonium L. than highly tolerant Amaranthus retroflexus L. Catalase (CAT) is most likely the major mediator in the removal of reactive oxygen species, which are generated during germination and early seedling growth of Ch. murale exposed to ShER. The results of the present study imply the high potential of ShER in the management of amaranthaceous and solanaceous weeds, such as Ch. murale and D. stramonium, respectively. The present study offers an environmentally friendly solution for the biological control of weeds belonging to the families Amaranthaceae and Solanaceae. Also, the results of this research highlight the possibility of effective management of S. halepense by using it as a feedstock for bioherbicide production. Full article
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15 pages, 3067 KiB  
Article
Essential Oil from the Leaves of Annona neoinsignis H. Rainer (Annonaceae) Against Liver Cancer: In Vitro and In Vivo Studies
by Melissa P. Souza, Maria V. L. de Castro, Gabriela A. da C. Barbosa, Sabrine G. Carvalho, Amanda M. R. M. Coelho, Rosane B. Dias, Milena B. P. Soares, Emmanoel V. Costa and Daniel P. Bezerra
Molecules 2025, 30(14), 2971; https://doi.org/10.3390/molecules30142971 - 15 Jul 2025
Cited by 1 | Viewed by 338
Abstract
Annona neoinsignis H. Rainer (Annonaceae) is a tree native to the Amazon rainforest. Its fruits are also suitable for human consumption in their natural state or are processed to make desserts. In this work, we characterized the chemical composition of the essential oil [...] Read more.
Annona neoinsignis H. Rainer (Annonaceae) is a tree native to the Amazon rainforest. Its fruits are also suitable for human consumption in their natural state or are processed to make desserts. In this work, we characterized the chemical composition of the essential oil (EO) from the leaves of A. neoinsignis and evaluated its anti-liver-cancer potential via in vitro and in vivo approaches. Chemical composition analysis revealed β-elemene, (E)-caryophyllene, germacrene D, and germacrene B as the main constituents. The EO had IC50 values ranging from 12.28 to 37.50 μg/mL for B16-F10 cells and MCF-7 cells, whereas an IC50 value of >50 μg/mL was found for noncancerous MRC-5 cells. DNA fragmentation, YO-PRO-1 staining, and loss of mitochondrial transmembrane potential were detected in EO-treated HepG2 cells, indicating the induction of apoptosis. Significant in vivo growth inhibition of 53.7% was observed in mice bearing HepG2 cell xenografts treated with EO at a dosage of 40 mg/kg. These data suggest that EO from A. neoinsignis leaves is a drug source for liver cancer. Full article
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22 pages, 3278 KiB  
Article
Polysorbate 80 Differentially Impacts Erinacine Production Profiles in Submerged Cultures of Hericium
by Abigail Veronica Smith, Honghui Zhu, Lili Mats and Gale Bozzo
Molecules 2025, 30(13), 2823; https://doi.org/10.3390/molecules30132823 - 30 Jun 2025
Viewed by 433
Abstract
The mycelia of Hericium erinaceus contain neuroprotective cyathane diterpenoids (e.g., erinacine A). There is evidence that cultivation of submerged mycelia with surfactants increases glucose uptake and biomass, but the impact on erinacine production is unknown. Here, we tested the impact of glucose and [...] Read more.
The mycelia of Hericium erinaceus contain neuroprotective cyathane diterpenoids (e.g., erinacine A). There is evidence that cultivation of submerged mycelia with surfactants increases glucose uptake and biomass, but the impact on erinacine production is unknown. Here, we tested the impact of glucose and polysorbate 80 on the mycelial erinacine profiles of five Hericium strains cultivated under submergence, including those of Hericium erinaceus, Hericium americanum, and Hericium coralloides. Metabolite profiling confirmed that mycelial extracts contained 13% to 91% of the erinacines A, C and P in additive-free cultures of all strains, with the remainder secreted to the culture medium. Overall, erinacine P production was several orders of magnitude greater than that of the other erinacines, except for H. erinaceus (DAOMC 251029), where erinacine C was most evident. H. coralloides (DAOMC 251017) produced the greatest concentrations of erinacines A and P. For the most part mycelial erinacine concentrations were reduced in cultures co-supplemented with glucose and polysorbate 80. This treatment caused an 83–100% reduction in the concentrations of erinacines A, C, and P in the mycelial extracts of most strains. By contrast, there was evidence that glucose and polysorbate 80 had no effect on erinacine A production within mycelia of H. americanum, and erinacine P concentrations in H. erinaceus (DAOMC 251029) and H. americanum (DAOMC 251011). In most strains, the secretion of erinacines to the culture medium declined with glucose and polysorbate 80. Conversely, these additives increased the concentrations of erinacines C and P in the culture medium filtrate of H. americanum (DAOMC 21467) and yielded more secreted erinacine P in H. erinaceus (DAOMC 251029). The information provides feasible strategies to produce mycelia with unique erinacine profiles including those rich in erinacine P. Full article
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