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Natural-Derived Bioactive Compounds in Disease Treatment
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Natural-Derived Bioactive Compounds in Disease Treatment

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Pharmacology".

Deadline for manuscript submissions: 20 January 2026 | Viewed by 13501

Special Issue Editors

Dr. Adelina Vlad

E-Mail Website
Guest Editor
Physiology Department, Faculty of Medicine, “Carol Davila” University of Medicine and Pharmacy, 050474 Bucharest, Romania
Interests: atherosclerosis; coronary artery disease; scavenger receptors; anesthetic preconditioning; endothelial progenitor cells; non coding RNA; nutraceuticals; phytocompounds
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Marilena Gilca

E-Mail Website
Guest Editor
Biochemistry Department, Faculty of Medicine, “Carol Davila” University of Medicine and Pharmacy, 050474 Bucharest, Romania
Interests: oxidative stress; antioxidants; medicinal plants; ethnopharmacology
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue aims to explore the rich tradition of utilizing natural remedies in disease treatment, with a particular focus on the dynamic realm of natural bioactive compounds. Recent research highlights the efficacy of phytocompounds and other natural elements in regulating various biological processes, encompassing inflammation, immune response, apoptosis, angiogenesis, cell proliferation, cholesterol trafficking, and neuronal plasticity by modulating the activity of various targets (enzymes, receptors, transporters, ion channels). The combination of synthetic drugs with plant-based agents, vitamins, or other natural bioactive compounds emerges as an efficient strategy for preventing and treating multifactorial diseases while mitigating side effects.

This Special Issue covers diverse topics, including the identification and characterization of new bioactive compounds, and investigating therapeutic applications for preventing, managing, or treating diseases, with an emphasis on cellular and molecular aspects of their mechanism of action. Specific areas of interest include pharmacokinetics, drug–phytochemical interactions, synergistic effects of natural compounds, regulatory activity of phytochemicals on phase I and II detoxifying enzymes, technology’s role in valorizing traditional medical knowledge, and the development of databases on the actions of medicinal plants and natural compounds.

A key focus lies in exploring the role of natural bioactive compounds in developing nutraceuticals and functional foods, bridging ancient medical wisdom with contemporary scientific advancements. The Special Issue welcomes contributions that present findings from clinical studies evaluating the efficacy and safety of these compounds in human populations. We invite researchers to contribute their original work and scientific reviews, fostering new insights and innovations in the realm of natural bioactive compounds and their impact on human health and diseases.

Dr. Adelina Vlad
Prof. Dr. Marilena Gilca
Guest Editors

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Keywords

  • medicinal plants
  • phytochemicals
  • vitamins
  • nutraceuticals
  • anti-oxidants
  • gene expression
  • protein expression
  • cellular signaling
  • nanoformulations

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Published Papers (5 papers)

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Research

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21 pages, 3063 KiB  
Article
Total Antioxidant Capacity of Arachis hypogaea Seed Kernels and Coats: An Analytical and Sensory Investigation
by Julie Marshall, Lissa Gilliam, Melanie McGilton, Ana Patty, Lily Sowell, Ashley Cherry, Brian Fisher, Matt Scholten, Chris Liebold, Darlene Cowart and Samara Sterling
Int. J. Mol. Sci. 2025, 26(13), 5990; https://doi.org/10.3390/ijms26135990 - 22 Jun 2025
Viewed by 512
Abstract
Antioxidants are critical components of the body’s defense system, providing protection against cell-damaging free radicals responsible for oxidative damage of biomolecules. Humans benefit from the consumption of plants with high antioxidant content, which have been shown to positively impact health. In plant physiology, [...] Read more.
Antioxidants are critical components of the body’s defense system, providing protection against cell-damaging free radicals responsible for oxidative damage of biomolecules. Humans benefit from the consumption of plants with high antioxidant content, which have been shown to positively impact health. In plant physiology, antioxidants provide protection from biotic and abiotic stress, particularly during the development of seeds and germination. Peanut seeds and seed coats have been shown to contain several beneficial antioxidants and are a good source of phytonutrients. Seed coat color can vary greatly and impact the antioxidant capacity of the edible portion of the peanut. Additionally, the seed coat can provide bitter notes in products, affecting their palatability and potentially negating the beneficial properties of the antioxidants present. A total of 42 accessions from the Germplasm Resource Information Network (GRIN) with a variety of seed coat colors were obtained and analyzed for total antioxidant capacity to provide a baseline assessment of the distribution of antioxidants in kernel versus seed coats. The results demonstrated that seed coat color somewhat impacts antioxidant capacity, and 56–88% of the total antioxidant capacity resides in the seed kernel. Three control samples, not part of the germplasm collection, were roasted and prepared for analysis by the descriptive sensory panel. Seed coats were added back to the roasted paste in increasing proportion for analysis by the panel, and perceptions regarding bitterness and overall organoleptic properties were noted. Based on the results of this study, several accessions were selected and then planted for increase and potential crossbreeding with appropriate commercial cultivars. This information could be used to selectively add antioxidant capacity to peanut breeding programs to provide additional health benefits to consumers without compromising the sensory perception and desirability and peanut products in nutrition. Full article
(This article belongs to the Special Issue Natural-Derived Bioactive Compounds in Disease Treatment)
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13 pages, 5931 KiB  
Article
In Silico Predicting the Presence of the S100B Motif in Edible Plants and Detecting Its Immunoreactive Materials: Perspectives for Functional Foods, Dietary Supplements and Phytotherapies
by Vincenzo Romano Spica, Veronica Volpini, Federica Valeriani, Giovanni Carotenuto, Manuel Arcieri, Serena Platania, Tiziana Castrignanò, Maria Elisabetta Clementi and Fabrizio Michetti
Int. J. Mol. Sci. 2024, 25(18), 9813; https://doi.org/10.3390/ijms25189813 - 11 Sep 2024
Cited by 1 | Viewed by 1591
Abstract
The protein S100B is a part of the S100 protein family, which consists of at least 25 calcium-binding proteins. S100B is highly conserved across different species, supporting important biological functions. The protein was shown to play a role in gut microbiota eubiosis and [...] Read more.
The protein S100B is a part of the S100 protein family, which consists of at least 25 calcium-binding proteins. S100B is highly conserved across different species, supporting important biological functions. The protein was shown to play a role in gut microbiota eubiosis and is secreted in human breast milk, suggesting a physiological trophic function in newborn development. This study explores the possible presence of the S100B motif in plant genomes, and of S100B-like immunoreactive material in different plant extracts, opening up potential botanical uses for dietary supplementation. To explore the presence of the S100B motif in plants, a bioinformatic workflow was used. In addition, the immunoreactivity of S100B from vegetable and fruit samples was tested using an ELISA assay. The S100B motif was expected in silico in the genome of different edible plants belonging to the Viridiplantae clade, such as Durio zibethinus or Malus domestica and other medicinal species. S100B-like immunoreactive material was also detected in samples from fruits or leaves. The finding of S100B-like molecules in plants sheds new light on their role in phylogenesis and in the food chain. This study lays the foundation to elucidate the possible beneficial effects of plants or derivatives containing the S100B-like principle and their potential use in nutraceuticals. Full article
(This article belongs to the Special Issue Natural-Derived Bioactive Compounds in Disease Treatment)
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33 pages, 9785 KiB  
Article
Combination of Tramiprosate, Curcumin, and SP600125 Reduces the Neuropathological Phenotype in Familial Alzheimer Disease PSEN1 I416T Cholinergic-like Neurons
by Nicolas Gomez-Sequeda, Marlene Jimenez-Del-Rio and Carlos Velez-Pardo
Int. J. Mol. Sci. 2024, 25(9), 4925; https://doi.org/10.3390/ijms25094925 - 30 Apr 2024
Cited by 3 | Viewed by 1836
Abstract
Familial Alzheimer’s disease (FAD) is a complex and multifactorial neurodegenerative disorder for which no curative therapies are yet available. Indeed, no single medication or intervention has proven fully effective thus far. Therefore, the combination of multitarget agents has been appealing as a potential [...] Read more.
Familial Alzheimer’s disease (FAD) is a complex and multifactorial neurodegenerative disorder for which no curative therapies are yet available. Indeed, no single medication or intervention has proven fully effective thus far. Therefore, the combination of multitarget agents has been appealing as a potential therapeutic approach against FAD. Here, we investigated the potential of combining tramiprosate (TM), curcumin (CU), and the JNK inhibitor SP600125 (SP) as a treatment for FAD. The study analyzed the individual and combined effects of these two natural agents and this pharmacological inhibitor on the accumulation of intracellular amyloid beta iAβ; hyperphosphorylated protein TAU at Ser202/Thr205; mitochondrial membrane potential (ΔΨm); generation of reactive oxygen species (ROS); oxidized protein DJ-1; proapoptosis proteins p-c-JUN at Ser63/Ser73, TP53, and cleaved caspase 3 (CC3); and deficiency in acetylcholine (ACh)-induced transient Ca2+ influx response in cholinergic-like neurons (ChLNs) bearing the mutation I416T in presenilin 1 (PSEN1 I416T). We found that single doses of TM (50 μM), CU (10 μM), or SP (1 μM) were efficient at reducing some, but not all, pathological markers in PSEN 1 I416T ChLNs, whereas a combination of TM, CU, and SP at a high (50, 10, 1 μM) concentration was efficient in diminishing the iAβ, p-TAU Ser202/Thr205, DJ-1Cys106-SO3, and CC3 markers by −50%, −75%, −86%, and −100%, respectively, in PSEN1 I417T ChLNs. Although combinations at middle (10, 2, 0.2) and low (5, 1, 0.1) concentrations significantly diminished p-TAU Ser202/Thr205, DJ-1Cys106-SO3, and CC3 by −69% and −38%, −100% and −62%, −100% and −62%, respectively, these combinations did not alter the iAβ compared to untreated mutant ChLNs. Moreover, a combination of reagents at H concentration was able to restore the dysfunctional ACh-induced Ca2+ influx response in PSEN 1 I416T. Our data suggest that the use of multitarget agents in combination with anti-amyloid (TM, CU), antioxidant (e.g., CU), and antiapoptotic (TM, CU, SP) actions might be beneficial for reducing iAβ-induced ChLN damage in FAD. Full article
(This article belongs to the Special Issue Natural-Derived Bioactive Compounds in Disease Treatment)
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Review

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49 pages, 2527 KiB  
Review
Cellular and Molecular Mechanisms Modulated by Genistein in Cancer
by Valeria Naponelli, Annamaria Piscazzi and Domenica Mangieri
Int. J. Mol. Sci. 2025, 26(3), 1114; https://doi.org/10.3390/ijms26031114 - 27 Jan 2025
Cited by 4 | Viewed by 2813
Abstract
Genistein (4′,5,7-trihydroxyisoflavone) is a phytoestrogen belonging to a subclass of natural flavonoids that exhibits a wide range of pharmacological functions, including antioxidant and anti-inflammatory properties. These characteristics make genistein a valuable phytochemical compound for the prevention and/or treatment of cancer. Genistein effectively inhibits [...] Read more.
Genistein (4′,5,7-trihydroxyisoflavone) is a phytoestrogen belonging to a subclass of natural flavonoids that exhibits a wide range of pharmacological functions, including antioxidant and anti-inflammatory properties. These characteristics make genistein a valuable phytochemical compound for the prevention and/or treatment of cancer. Genistein effectively inhibits tumor growth and dissemination by modulating key cellular mechanisms. This includes the suppression of angiogenesis, the inhibition of epithelial–mesenchymal transition, and the regulation of cancer stem cell proliferation. These effects are mediated through pivotal signaling pathways such as JAK/STAT, PI3K/Akt/mTOR, MAPK/ERK, NF-κB, and Wnt/β-catenin. Moreover, genistein interferes with the function of specific cyclin/CDK complexes and modulates the activation of Bcl-2/Bax and caspases, playing a critical role in halting tumor cell division and promoting apoptosis. The aim of this review is to discuss in detail the key cellular and molecular mechanisms underlying the pleiotropic anticancer effects of this flavonoid. Full article
(This article belongs to the Special Issue Natural-Derived Bioactive Compounds in Disease Treatment)
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33 pages, 10873 KiB  
Review
Effects of Cannabinoids on Intestinal Motility, Barrier Permeability, and Therapeutic Potential in Gastrointestinal Diseases
by Kijan Crowley, Łukasz Kiraga, Edyta Miszczuk, Sergiusz Skiba, Joanna Banach, Urszula Latek, Marta Mendel and Magdalena Chłopecka
Int. J. Mol. Sci. 2024, 25(12), 6682; https://doi.org/10.3390/ijms25126682 - 18 Jun 2024
Cited by 11 | Viewed by 5825
Abstract
Cannabinoids and their receptors play a significant role in the regulation of gastrointestinal (GIT) peristalsis and intestinal barrier permeability. This review critically evaluates current knowledge about the mechanisms of action and biological effects of endocannabinoids and phytocannabinoids on GIT functions and the potential [...] Read more.
Cannabinoids and their receptors play a significant role in the regulation of gastrointestinal (GIT) peristalsis and intestinal barrier permeability. This review critically evaluates current knowledge about the mechanisms of action and biological effects of endocannabinoids and phytocannabinoids on GIT functions and the potential therapeutic applications of these compounds. The results of ex vivo and in vivo preclinical data indicate that cannabinoids can both inhibit and stimulate gut peristalsis, depending on various factors. Endocannabinoids affect peristalsis in a cannabinoid (CB) receptor-specific manner; however, there is also an important interaction between them and the transient receptor potential cation channel subfamily V member 1 (TRPV1) system. Phytocannabinoids such as Δ9-tetrahydrocannabinol (THC) and cannabidiol (CBD) impact gut motility mainly through the CB1 receptor. They were also found to improve intestinal barrier integrity, mainly through CB1 receptor stimulation but also via protein kinase A (PKA), mitogen-associated protein kinase (MAPK), and adenylyl cyclase signaling pathways, as well as by influencing the expression of tight junction (TJ) proteins. The anti-inflammatory effects of cannabinoids in GIT disorders are postulated to occur by the lowering of inflammatory factors such as myeloperoxidase (MPO) activity and regulation of cytokine levels. In conclusion, there is a prospect of utilizing cannabinoids as components of therapy for GIT disorders. Full article
(This article belongs to the Special Issue Natural-Derived Bioactive Compounds in Disease Treatment)
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