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Extraction, Characterization, and Potential Applications of Bioactive Molecules from Natural Sources, 4th Edition

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

Deadline for manuscript submissions: 31 October 2025 | Viewed by 4643

Special Issue Editors

Special Issue Information

Dear Colleagues,

Natural sources are incredible suppliers of bioactive molecules that find applications in several sectors, including those related to health, food, the environment, and cosmetics.

Growing consumer attention to health and the environment and the increasing trend of replacing chemical with natural preparations to achieve health benefits have encouraged research on “new, natural providers” of bioactive molecules. This active research area could lead to the production of both bioactive molecules with known properties (e.g., antimicrobial, anti-inflammatory, antioxidant) and applications, alongside molecules with not-yet well-established or totally unknown biological activities.

This Special Issue on the “Extraction, Characterization, and Potential Applications of Bioactive Molecules from Natural Sources, 4th Edition” covers sources from both the plant kingdom and microorganisms that could greatly contribute to producing and applying compounds of natural origin with biological activities varying depending on the type of bioactive molecule.

This Special Issue on “Extraction, Characterization, and Potential Applications of Bioactive Molecules from Natural Sources, 4th Edition” aims to present the most recent achievements in the production and application of naturally derived bioactive compounds. We invite researchers to participate by submitting a contribution, in the form of original research papers and reviews, in their field of expertise.

Potential topics include but are not limited to the following:

  • Eco-friendly extraction and characterization of bioactive compounds from plants and agro-industrial waste;
  • Production and characterization of bioactive compounds from microorganisms (saccharides, pigments, proteins, peptides, and lipids);
  • Assessment of the biological properties of natural compounds (antimicrobial, anticancer, anti-phytopathogen, anti-inflammatory);
  • Novel applications of bioactive compounds extracted from natural sources in foods, pharmaceuticals, agriculture, cosmetics, and the environment.

Dr. Alessandra Morana
Dr. Giuseppe Squillaci
Guest Editors

Manuscript Submission Information

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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.

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

  • sustainable extraction
  • waste valorization
  • medicinal plants
  • antioxidant
  • naturally derived active ingredients
  • bioactive compounds from microorganisms
  • antimicrobials
  • anticancer

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Published Papers (6 papers)

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Research

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15 pages, 1631 KiB  
Article
Impact of Bioactive Ingredients on the Fecal Excretion of Aflatoxin B1 and Ochratoxin A in Wistar Rats
by Pilar Vila-Donat, Dora Sánchez, Lara Manyes and Alessandra Cimbalo
Molecules 2025, 30(3), 647; https://doi.org/10.3390/molecules30030647 - 1 Feb 2025
Viewed by 227
Abstract
This study evaluates the effects of fermented whey (FW) and pumpkin (P) on the excretion of aflatoxin B1 (AFB1) and ochratoxin A (OTA) in rats using immunoaffinity column cleanup and high-performance liquid chromatography–fluorescence detection (IAC-LC-FLD). The method achieved detection limits of 0.1 µg/kg [...] Read more.
This study evaluates the effects of fermented whey (FW) and pumpkin (P) on the excretion of aflatoxin B1 (AFB1) and ochratoxin A (OTA) in rats using immunoaffinity column cleanup and high-performance liquid chromatography–fluorescence detection (IAC-LC-FLD). The method achieved detection limits of 0.1 µg/kg for AFB1 and 0.3 µg/kg for OTA, with recovery rates ranging from 72–92% for AFB1 and 88–98% for OTA. A fecal analysis of 100 rats showed peak AFB1 concentrations of 418 µg/kg and OTA of 1729 µg/kg. In the toxin-exposed groups, OTA levels were higher than AFB1, with males in the OTA-only group showing significantly higher OTA (1729 ± 712 µg/kg) than females (933 ± 512 µg/kg). In the AFB1-only group, the fecal levels were 52 ± 61 µg/kg in males and 91 ± 77 µg/kg in females. The AFB1 + FW group showed notable AFB1 concentrations (211 ± 51 µg/kg in males, 230 ± 36 µg/kg in females). The FW + P combination further influenced excretion, with higher AFB1 and OTA levels. These findings suggest that FW and P modulate mycotoxin excretion and may play a role in mycotoxin detoxification, providing insight into dietary strategies to reduce mycotoxin exposure and its harmful effects. Full article
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28 pages, 3167 KiB  
Article
Anti-Inflammatory, Anti-Hyperglycemic, and Anti-Aging Activities of Aqueous and Methanolic Fractions Obtained from Cucurbita ficifolia Bouché Fruit Pulp and Peel Extracts
by Tiago E. Coutinho, Carlos Martins-Gomes, Liliana Machado-Carvalho, Fernando M. Nunes and Amélia M. Silva
Molecules 2025, 30(3), 557; https://doi.org/10.3390/molecules30030557 - 26 Jan 2025
Viewed by 576
Abstract
The Cucurbita genus comprises various species that are globally consumed and that are commonly used for their nutritional value but also for medicinal applications. Within the Cucurbita genus can be found Cucurbita ficifolia Bouché, a species that is understudied regarding its potential value [...] Read more.
The Cucurbita genus comprises various species that are globally consumed and that are commonly used for their nutritional value but also for medicinal applications. Within the Cucurbita genus can be found Cucurbita ficifolia Bouché, a species that is understudied regarding its potential value for the food industry, as a functional food, and for the pharmaceutical industry, as a source of nutraceuticals. Therefore, in this study we investigated the phytochemical composition and bioactivities of aqueous (AF) and methanolic (MF) fractions of C. ficifolia pulp and peel hydroethanolic (HE) extracts. HPLC-DAD-MSn and HPAEC-PAD analyses of extracts’ fractions revealed a low content of polyphenols and a significant content of sugars. Through in vitro inhibition assays of the enzymes alpha-amylase, acetylcholinesterase (AChE), and elastase, all fractions showed, respectively, antidiabetic, neuroprotective, and anti-aging activities. The safety profile and anti-tumoral activities were evaluated in various cell models (Caco-2, HaCaT, HepG2, and RAW 264.7), and results showed that the fractions obtained from pulp extract induce no/low cytotoxicity, while the methanolic fraction of peel induced cytotoxicity in all cell lines. At non-cytotoxic concentrations, aqueous and methanolic fractions of both extracts significantly inhibited nitric oxide (NO) production in lipopolysaccharide (LPS)-stimulated RAW 264.7 cells, revealing anti-inflammatory activity. Flow cytometry analysis showed that both aqueous fractions increased basal levels of glutathione (GSH) in Caco-2 cells, while not inducing oxidative stress, revealing potential as antioxidant dietary agents. However, the MF of peel HE extract induced oxidative stress in Caco-2 cells, as it increased reactive oxygen species (ROS) and lipid peroxidation. AF fraction of peel extract induced cell cycle arrest in the G0/G1 phase, while the other fractions induced cell cycle arrest in the S phase. In conclusion, Cucurbita ficifolia fruit presents potential as a functional food but also as a potential source of nutraceuticals, and peel waste products can be valorized by pharmaceutical and cosmeceutical industries as sources of bioactive molecules. Full article
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14 pages, 3813 KiB  
Article
An In Vitro Study of the Anti-Acne Effects of Scutellaria barbata
by Qiwen Zheng, Xiangji Jin, Trang Thi Minh Nguyen, Se-Jig Park, Gyeong-Seon Yi, Su-Jin Yang and Tae-Hoo Yi
Molecules 2025, 30(3), 515; https://doi.org/10.3390/molecules30030515 - 23 Jan 2025
Viewed by 291
Abstract
Acne is a common skin disease that is closely associated with Cutibacterium acnes (C. acnes) and the inflammatory response it induces. Existing antibiotic treatments are often rendered ineffective due to the development of bacterial resistance, while Scutellaria barbata (SLB) has attracted [...] Read more.
Acne is a common skin disease that is closely associated with Cutibacterium acnes (C. acnes) and the inflammatory response it induces. Existing antibiotic treatments are often rendered ineffective due to the development of bacterial resistance, while Scutellaria barbata (SLB) has attracted widespread attention for its remarkable anti-inflammatory and antibacterial properties. However, its role in acne treatment has not been comprehensively studied. This study used high-performance liquid chromatography (HPLC) to analyze the bioactive components in a 70% ethanol extract of SLB. The antibacterial activity against C. acnes was systematically evaluated using well diffusion, minimum inhibitory concentration (MIC), minimum bactericidal concentration (MBC), and biofilm formation assays. Additionally, the effects of SLB on nitric oxide (NO) production and phagocytic activity were tested in RAW 264.7 cells. An acne skin model was established by treating HaCaT keratinocytes with heat-inactivated C. acnes. The results demonstrated that SLB significantly inhibited the growth of C. acnes and disrupted its biofilm formation. Moreover, SLB markedly reduced the secretion of inflammatory cytokines such as interleukin (IL)-6, IL-1β, IL-8, and tumor necrosis factor (TNF)-α in HaCaT keratinocytes stimulated by C. acnes. Moreover, SLB effectively alleviated skin barrier damage caused by C. acnes by suppressing the expression of matrix metalloproteinases (MMPs)-1, -3, -9, and -13. In conclusion, this study demonstrates that SLB possesses potent antibacterial, anti-inflammatory, and barrier-protective properties, making it a promising candidate for developing anti-acne products and exploring alternative antibiotic therapies. Full article
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11 pages, 594 KiB  
Article
Impact of Polysorbate 80 on the Antimicrobial Activity of Oregano and Thyme
by Marta Carvalho, Joana Barbosa, Marcelo Belchior Rosendo da Silva, Helena Albano and Paula Teixeira
Molecules 2025, 30(1), 81; https://doi.org/10.3390/molecules30010081 - 28 Dec 2024
Viewed by 764
Abstract
Plant-derived essential oils (EOs) possess significant antimicrobial potential against spoilage and pathogenic microorganisms. However, their efficacy can vary depending on the test method, making it difficult to standardise results. This study aimed to investigate the effect of polysorbate 80, a common surfactant used [...] Read more.
Plant-derived essential oils (EOs) possess significant antimicrobial potential against spoilage and pathogenic microorganisms. However, their efficacy can vary depending on the test method, making it difficult to standardise results. This study aimed to investigate the effect of polysorbate 80, a common surfactant used to emulsify EOs, on antimicrobial activity and minimum inhibitory concentration (MIC) determinations. The antimicrobial activity of oregano and thyme EOs was tested against 40 microorganisms with and without the presence of polysorbate 80. Antimicrobial activity was qualitatively assessed using the disc diffusion assay (DDA) and quantitatively via broth microdilution to determine MIC values. Both oregano and thyme EOs exhibited antimicrobial activity against all tested microorganisms in the DDA, regardless of the surfactant’s presence. However, MIC determinations revealed that higher EO concentrations were required to inhibit microbial growth when polysorbate 80 was included in the emulsification process. These findings indicate that polysorbate 80 influences antimicrobial test results by reducing EO efficacy while enhancing solution homogeneity and handling in aqueous media. The study highlights the critical role of emulsifiers in antimicrobial testing, as their use can significantly impact the interpretation of results and the perceived effectiveness of EOs in food preservation, pharmaceuticals, and other applications. Full article
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12 pages, 280 KiB  
Article
Insecticidal and Repellent Activity of Piper crassinervium Essential Oil and Its Pure Compounds Against Imported Fire Ants (Hymenoptera: Formicidae)
by Farhan Mahmood Shah, Mei Wang, Jianping Zhao, Joseph Lee, Paulo Vitor Farago, Jane Manfron, Ikhlas A. Khan and Abbas Ali
Molecules 2024, 29(22), 5430; https://doi.org/10.3390/molecules29225430 - 18 Nov 2024
Viewed by 731
Abstract
Piper crassinervium Kunth (Piperaceae) essential oil (EO) was evaluated for its toxicity and repellency against red imported fire ants (RIFA), Solenopsis invicta Buren, and a hybrid (HIFA) of red (S. invicta) and black (S. richteri Forel) imported fire ants. Through bioactivity-guided [...] Read more.
Piper crassinervium Kunth (Piperaceae) essential oil (EO) was evaluated for its toxicity and repellency against red imported fire ants (RIFA), Solenopsis invicta Buren, and a hybrid (HIFA) of red (S. invicta) and black (S. richteri Forel) imported fire ants. Through bioactivity-guided fractionation, two major components, elemicin and myristicin, were isolated from the EO. Removal of treated sand in a digging bioassay was used as the criterion for repellency. The EO showed significantly higher repellency at concentrations of 7.8 µg/g against RIFA and HIFA workers, as compared to the DEET (N,N-diethyl-meta-toluamide) or ethanol control. Elemicin exhibited repellency at 3.9 and 7.8 µg/g against RIFA and HIFA workers, respectively, whereas myristicin was active at 7.8 µg/g against both species. DEET failed at 31.25 µg/g against RIFA and 15.6 µg/g against HIFA. The EO showed LC50 values of 97.9 and 73.7 µg/g against RIFA and HIFA workers, respectively. Myristicin was more toxic against RIFA and HIFA with LC50 values of 54.3 and 35.3 µg/g, respectively. Elemicin showed 20–40% mortality at the highest screening dose of 125 µg/g. Fipronil exhibited the highest toxicity against RIFA and HIFA, with LC50 of 0.43 and 0.51 µg/g, respectively. Different formulations of these natural products should be evaluated to explore their use potential under natural field conditions. Full article

Review

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17 pages, 1294 KiB  
Review
Natural Antimicrobial Compounds as Promising Preservatives: A Look at an Old Problem from New Perspectives
by Ludmila Yarmolinsky, Faina Nakonechny, Tigabu Haddis, Boris Khalfin, Arik Dahan and Shimon Ben-Shabat
Molecules 2024, 29(24), 5830; https://doi.org/10.3390/molecules29245830 - 10 Dec 2024
Viewed by 1431
Abstract
Antimicrobial compounds of natural origin are of interest because of the large number of reports regarding the harmfulness of food preservatives. These natural products can be derived from plants, animal sources, microorganisms, algae, or mushrooms. The aim of this review is to consider [...] Read more.
Antimicrobial compounds of natural origin are of interest because of the large number of reports regarding the harmfulness of food preservatives. These natural products can be derived from plants, animal sources, microorganisms, algae, or mushrooms. The aim of this review is to consider known antimicrobials of natural origin and the mechanisms of their action, antimicrobial photodynamic technology, and ultrasound for disinfection. Plant extracts and their active compounds, chitosan and chitosan oligosaccharide, bioactive peptides, and essential oils are highly potent preservatives. It has been experimentally proven that they possess strong antibacterial capabilities against bacteria, yeast, and fungi, indicating the possibility of their use in the future to create preservatives for the pharmaceutical, agricultural, and food industries. Full article
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