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Bioactive Compounds from Plants and Foods: From Traditional Medicine to...
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Bioactive Compounds from Plants and Foods: From Traditional Medicine to Modern Applications in Nutrition and Health

A Special Issue of Pharmaceuticals (ISSN 1424-8247) belonging to the section "Natural Products".

Deadline for manuscript submissions: closed (31 August 2026) | Viewed by 10381

Editors

Dr. Sendar Nery-Flores

E-Mail Website
Guest Editor
Faculty of Chemical Sciences, Autonomous University of Coahuila, Saltillo, Mexico
Interests: polyphenols; anti-inflammatory; neuroprotective compounds; medicinal plants; bioactive compounds; herbal extracts
Dr. Filiberto Gutierrez-Gutierrez

E-Mail Website
Guest Editor
Department of Pharmacobiology, University of Guadalajara, Guadalajara, Mexico
Interests: pharmaceutical chemistry of natural products; phytochemistry; natural product drug discovery; antiparasitic; biological activity screening; antimicrobial; computational screening of natural products; nanomaterials for natural product extraction
Dr. Walter Trujillo-Rangel

E-Mail Website
Guest Editor
Deparment of Biomedical Sciencies, University of Guadalajara, Guadalajara, Mexico
Interests: pharmacology; cardiovascular sciences; ischemia-reperfusion injury; natural compounds and pharmaceuticals
Dr. Raúl Rodríguez-Herrera

E-Mail Website
Guest Editor
School of Chemistry, Autonomous University of Coahuila, Saltillo, Mexico
Interests: plant and food residues compounds and its effects on human health

Special Issue Information

Dear Colleagues,

For centuries, traditional plants and foods have been valuable sources of bioactive compounds with therapeutic properties. Today, the scientific validation of these compounds is bridging the gap between traditional medicine and modern applications in nutrition and health. Polyphenols, flavonoids, alkaloids, terpenes, and other phytochemicals are increasingly recognized for their antioxidant, anti-inflammatory, antimicrobial, anticancer, and neuroprotective effects. In addition to their health-promoting properties, many of these compounds can modulate key metabolic pathways, influence the gut microbiota, and contribute to the prevention and treatment of chronic diseases such as diabetes, cardiovascular disorders, obesity, and neurodegeneration.

This Special Issue aims to showcase recent advances in the identification, characterization, and application of bioactive compounds from plants and foods. We welcome original research and reviews that explore natural product drug discovery, in vitro and in vivo studies, computational screening of natural products, and innovations in nanomaterials for natural product extraction. Submissions that integrate traditional knowledge with modern scientific methodologies are particularly encouraged.

By combining phytochemistry, pharmacology, biotechnology, and nutrition science, this Special Issue "Bioactive Compounds from Plants and Foods: From Traditional Medicine to Modern Applications in Nutrition and Health" seeks to highlight the growing relevance of herbal extracts, nutraceuticals, and natural compounds in the development of evidence-based functional foods and phytotherapies

Dr. Sendar Nery-Flores
Dr. Filiberto Gutierrez-Gutierrez
Dr. Walter Trujillo-Rangel
Dr. Raúl Rodríguez-Herrera
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-anonymized peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Pharmaceuticals is an international peer-reviewed open access monthly 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 2900 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

  • herbal extracts
  • natural compounds
  • nutraceuticals
  • bioactive compounds
  • in vitro and in vivo studies
  • biological activities
  • phytochemistry
  • natural product drug discovery
  • computational screening of natural products
  • nanomaterials for natural product extraction

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Published Papers (7 papers)

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Research

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26 pages, 3391 KB  
Article
Untargeted Metabolomic and Phytochemical Profiling of Berberis crataegina DC. Plant Parts: Antidiabetic Potential and Cytoprotection in High-Glucose-Exposed SH-SY5Y Cells
by Yiğit Erkmen, Zekiye Ceren Arıtuluk Aydın, Engin Koçak, Hasya Nazlı Gök, Emirhan Nemutlu and Merve Yüzbaşıoğlu Baran
Pharmaceuticals 2026, 19(9), 1365; https://doi.org/10.3390/ph19091365 - 28 Aug 2026
Viewed by 312
Abstract
Background/Objectives: Berberis species are recognized for their ethnomedicinal importance and phytochemical richness associated with antidiabetic activity. Although B. crataegina is widely distributed in the Turkish flora and has a history of traditional use, its phytochemical properties and biological activities remain less extensively [...] Read more.
Background/Objectives: Berberis species are recognized for their ethnomedicinal importance and phytochemical richness associated with antidiabetic activity. Although B. crataegina is widely distributed in the Turkish flora and has a history of traditional use, its phytochemical properties and biological activities remain less extensively investigated than those of other Berberis species. This study aimed to comparatively evaluate the phytochemical profiles, in vitro antidiabetic potential, and cytoprotective effects of extracts prepared from different parts of B. crataegina in a high-glucose-induced SH-SY5Y cell-based model of diabetic neuropathy. Methods: Crude hydroethanolic extracts (70% ethanol) were prepared from the leaves, flowers, shoots, roots, and fresh fruits of B. crataegina collected from Kızılcahamam, Ankara, Türkiye. The total phenolic and flavonoid contents, antioxidant capacities and α-glucosidase inhibitory activities of leaf, flower, shoot, root, and fruit extracts were determined. The cytoprotective effects of the crude extracts were evaluated in a high-glucose-induced SH-SY5Y cell model. The metabolomic profiles of the extracts were comparatively analyzed using liquid chromatography–quadrupole time-of-flight mass spectrometry (LC-QTOF-MS). The most active fruit extract was fractionated by reversed-phase vacuum liquid chromatography (RP-VLC), and the phytochemical contents and α-glucosidase inhibitory activities of the fractions were evaluated. The major phenolic compounds in the most active fruit extract were quantitatively determined using high-performance liquid chromatography–diode array detection (HPLC-DAD). The relationships between metabolites and biological activities were investigated through correlation analysis. Results: The fruit extract was distinguished by its α-glucosidase inhibitory activity, total phenolic content, antioxidant capacity, and cytoprotective effect in the high-glucose-induced SH-SY5Y cell model. It showed no marked cytotoxicity at concentrations ranging from 25 to 400 µg/mL and, at 25 µg/mL, attenuated the high-glucose-induced reduction in cell viability, restoring viability to a level close to that of the normal control. Untargeted metabolomic analysis identified 191 metabolites detected in at least two crude extracts, while the metabolites detected exclusively in the fruit extract were predominantly flavonoids and flavonoid glycosides. Fractionation showed that α-glucosidase inhibitory activity was mainly concentrated in the medium-polarity fractions; however, none of the fractions reached the activity level of the crude extract. Chlorogenic acid, rutin, caffeic acid, protocatechuic acid, quercetin, and quercetin-3-O-glucoside were detected and quantified in the fruit extract by HPLC-DAD. Correlation analysis indicated that the observed biological activities may be associated with phenolic acids, flavonoids, and other polyphenolic metabolites. Conclusions: The fruit extract of B. crataegina showed promising α-glucosidase inhibitory activity and cytoprotective effects in the high-glucose-induced SH-SY5Y cell model. The findings suggest that these effects may arise from the combined contribution of multiple constituents within a polyphenolic matrix rather than from a single compound; however, synergistic interactions were not experimentally demonstrated. These results support further evaluation of the fruit extract through mechanistic, in vivo, and standardization studies. Full article
(This article belongs to the Special Issue Bioactive Compounds from Plants and Foods: From Traditional Medicine to Modern Applications in Nutrition and Health)
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24 pages, 24195 KB  
Article
Tanyu Tongzhi Decoction Improves Cardiac Function by Inhibiting Platelet Activation and Alleviating Coronary Microthrombosis for Coronary Heart Disease Mice
by Ying Yang, Xiang Li, Danli Tang, Chengze Li, Sijia Wu, Yingying Li, Tong Lei, Wenjing Zong and Huamin Zhang
Pharmaceuticals 2026, 19(6), 823; https://doi.org/10.3390/ph19060823 - 24 May 2026
Viewed by 685
Abstract
Background: Coronary heart disease (CHD) has a high global disease burden. According to traditional Chinese medicine theory, the main syndrome type of CHD is the syndrome of intermingled phlegm and blood stasis (SI-GPBS). Tanyu Tongzhi Decoction (TYTZD) exerts clear cardioprotective effects on CHD [...] Read more.
Background: Coronary heart disease (CHD) has a high global disease burden. According to traditional Chinese medicine theory, the main syndrome type of CHD is the syndrome of intermingled phlegm and blood stasis (SI-GPBS). Tanyu Tongzhi Decoction (TYTZD) exerts clear cardioprotective effects on CHD patients with SI-GPBS, while its specific regulatory mechanism remains unclear. Methods: Clinical serum proteomics and network pharmacology were used to screen key targets and pathways for CHD with SI-GPBS. An APOE−/− mouse model of CHD complicated with SI-GPBS was established and treated with TYTZD. Transcriptomics, proteomics and WGCNA were combined to screen core genes, with Western blotting, immunofluorescence, co-localization analysis and Carstairs staining for target verification and observation of coronary microthrombosis and endothelial injury. Results: A total of 754 differentially expressed proteins were identified in CHD patients with SI-GPBS, significantly enriched in the platelet activation pathway, with ITGA2B as the upregulated core hub protein. Network pharmacology found 94 active ingredients and 144 therapeutic targets of TYTZD for CHD with SI-GPBS, and key components bound well with ITGA2B. In APOE−/− mice with SI-GPBS, TYTZD improved cardiac function, reduced blood lipids, myocardial enzymes, aortic lipid deposition and myocardial damage, downregulated ITGA2B, F2RL2, FGA and FGB, inhibited integrin αIIbβ3 signaling, restrained endothelial activation and reduced coronary microthrombosis. Conclusions: TYTZD treats CHD with SI-GPBS mainly by inhibiting platelet activation, improving endothelial dysfunction, and reducing coronary microthrombosis. This study provides experimental basis for TYTZD’s clinical application in CHD with SI-GPBS and new ideas for TCM syndrome–disease combination research. Full article
(This article belongs to the Special Issue Bioactive Compounds from Plants and Foods: From Traditional Medicine to Modern Applications in Nutrition and Health)
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39 pages, 8120 KB  
Article
Machine Learning Exploration of Food-Derived Chemical Space for Potential Nutritional Metabolic Regulators Targeting Dipeptidyl Peptidase-4
by Nada A. Alzunaidy
Pharmaceuticals 2026, 19(3), 349; https://doi.org/10.3390/ph19030349 - 24 Feb 2026
Cited by 2 | Viewed by 1038
Abstract
Background: Dipeptidyl peptidase-4 (DPP4) is a key metabolic enzyme involved in postprandial glucose regulation through incretin hormone modulation, making it an important target in nutrition and metabolic health research. Although dietary and plant-derived bioactive compounds have been reported to influence DPP4, exploration of [...] Read more.
Background: Dipeptidyl peptidase-4 (DPP4) is a key metabolic enzyme involved in postprandial glucose regulation through incretin hormone modulation, making it an important target in nutrition and metabolic health research. Although dietary and plant-derived bioactive compounds have been reported to influence DPP4, exploration of the food-associated chemical space remains limited by its size and diversity. Methods: Here, we present an integrated computational framework combining machine learning, molecular docking, and molecular dynamics simulations to prioritize dietary and supplemental compounds with potential interaction capacity toward DPP4. Supervised classification models were trained on a curated DPP4 bioactivity dataset and evaluated using scaffold-based partitioning to ensure chemically realistic generalization. Results: The top-performing random forest model achieved robust performance across independent splits (mean AUC 0.889 ± 0.017; average precision 0.959 ± 0.010) and was applied to screen 69,574 food-derived compounds. Model interpretation identified recurring heteroaromatic and polar substructural features associated with predicted interaction propensity. Structure-based screening further prioritized seven food-derived compounds, including lipid-associated coenzyme A derivatives, which occupied the canonical DPP4 binding site with favorable docking scores (−13.12 to −12.06 kcal/mol). Extended molecular dynamics simulations (500 ns) demonstrated stable binding geometries, compact hydrogen-bond networks, and consistent engagement of key DPP4 residues, including Glu205, Glu206, Arg125, and Tyr631. Conclusions: Overall, our study provides a scalable computational strategy for identifying bioactive dietary and supplemental compounds with potential relevance to metabolic regulation. The framework supports nutraceutical research and functional food development by enabling targeted experimental investigation of diet–enzyme interactions. Full article
(This article belongs to the Special Issue Bioactive Compounds from Plants and Foods: From Traditional Medicine to Modern Applications in Nutrition and Health)
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Review

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41 pages, 20973 KB  
Review
Phytochemistry and Pharmacological Potential of the Genus Dalea: Current Evidence and Future Directions
by Renata Solis-Peña, Vanessa Lizbeth Correa-Macias, Hania Lizeth Peralez-Olguin, Dalia Lizbeth Martínez-Medellín, Andrea Melissa González-Rodríguez, Lizeth Guadalupe Campos-Muzquiz, Lissethe Palomo-Ligas and Sendar Daniel Nery-Flores
Pharmaceuticals 2026, 19(8), 1294; https://doi.org/10.3390/ph19081294 - 15 Aug 2026
Viewed by 810
Abstract
The genus Dalea (Fabaceae) comprises approximately 188 recognized species distributed mainly in arid and semi-arid regions of the American continent, where several species have been traditionally used in folk medicine for the treatment of gastrointestinal disorders, infections, inflammation, and other ailments. In recent [...] Read more.
The genus Dalea (Fabaceae) comprises approximately 188 recognized species distributed mainly in arid and semi-arid regions of the American continent, where several species have been traditionally used in folk medicine for the treatment of gastrointestinal disorders, infections, inflammation, and other ailments. In recent years, Dalea species have attracted considerable scientific interest due to their remarkable diversity of secondary metabolites, particularly prenylated flavonoids, isoflavonoids, rotenoids, chalcones, stilbenes, and terpenoid-rich essential oils. Among these compounds, prenylated and geranylated flavonoids represent some of the most characteristic metabolites of the genus and are strongly associated with its reported biological activities. This review summarizes current knowledge regarding the taxonomy, distribution, traditional uses, phytochemical profile, pharmacological activities, and toxicological aspects of the genus Dalea. Although only about 19 species (approximately 10% of currently recognized species) have been subjected to phytochemical investigation, substantial knowledge gaps remain within the genus. Special emphasis is placed on prenylated phenolic compounds because of their structural diversity and broad spectrum of biological activities, including antibacterial, antifungal, antiparasitic, anti-inflammatory, neuroprotective, anticancer, anti-tyrosinase, and xanthine-oxidase-inhibitory effects. Despite promising pharmacological findings, most available evidence remains limited to in vitro evaluations, with relatively few studies including in vivo validation or mechanistic investigations. Furthermore, important challenges remain regarding toxicity, pharmacokinetics, metabolomic characterization, and sustainable production of bioactive metabolites. Overall, the available evidence highlights Dalea as a valuable source of bioactive compounds with potential pharmaceutical applications and supports the need for further interdisciplinary research focused on drug discovery and development. Full article
(This article belongs to the Special Issue Bioactive Compounds from Plants and Foods: From Traditional Medicine to Modern Applications in Nutrition and Health)
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44 pages, 3149 KB  
Review
Current Knowledge of the Genus Satureja: A Comprehensive Review of Its Traditional Use, Phytochemistry, Pharmacological Activity and Non-Medical Applications
by Marah Alburqan, Katalin Veres and Judit Hohmann
Pharmaceuticals 2026, 19(6), 875; https://doi.org/10.3390/ph19060875 - 31 May 2026
Cited by 1 | Viewed by 919
Abstract
Background: The genus Satureja L. (savory) includes approximately 200 aromatic herb and shrub species distributed worldwide. These plants are widely used in traditional and modern medicine, culinary practices, and agriculture. This review summarises knowledge on the traditional uses, phytochemistry, and pharmacological activities of [...] Read more.
Background: The genus Satureja L. (savory) includes approximately 200 aromatic herb and shrub species distributed worldwide. These plants are widely used in traditional and modern medicine, culinary practices, and agriculture. This review summarises knowledge on the traditional uses, phytochemistry, and pharmacological activities of Satureja species published between March 2014 and 2025. Methods: Peer-reviewed literature was searched on Web of Knowledge, PubMed, Scopus, and SciFinder using the keywords “Satureja” and “savory.” A total of 171 relevant articles were analyzed, focusing on ethnomedicinal use, chemical constituents, and pharmacological effects. Results: Recent ethnobotanical studies documented the use of local medicinal plants, including Satureja, in several European regions. Phytochemical research identified major groups of compounds such as essential oils, flavonoids, phenolic acids, jasmonates, di- and triterpenes, and steroids. Essential oils are the most studied and show high variability among species due to environmental and genetic factors. Pharmacological research largely highlights antimicrobial, antioxidant, and antitumor activities, as well as protective effects against chemotherapy-induced side effects. Additional studies report neurological benefits, including prevention of opioid analgesic tolerance, antiepileptic activity, and memory-enhancing effects. Satureja species have been the subject of various innovative developments aimed at preserving food quality, improving coating materials in the food industry, and developing new environmentally friendly biopesticides. Conclusions: Future research should prioritize the study of individual bioactive compounds, their mechanisms of action, and structure–activity relationships. Advances in nanoformulations and modern extraction technologies offer promising directions to support the medicinal and food-industry applications of Satureja-derived products. Full article
(This article belongs to the Special Issue Bioactive Compounds from Plants and Foods: From Traditional Medicine to Modern Applications in Nutrition and Health)
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24 pages, 9781 KB  
Review
Bioactive Constituents, Mechanisms, and Complementary Therapeutic Applications of Food–Medicine Continuum Materia Medica for Atherosclerosis Prevention and Treatment
by Xiaorong Zhang, Mengyue Dong, Xinke Wang, Yingjie Hong, Xin Zhang, Yonghuan Niu and Xuefeng Li
Pharmaceuticals 2026, 19(6), 856; https://doi.org/10.3390/ph19060856 - 29 May 2026
Viewed by 1223
Abstract
Cardiovascular disease (CVD) represents the leading cause of mortality worldwide, with atherosclerosis (AS) serving as its primary pathological foundation, involving multiple pathological processes, including lipid metabolism disorders, chronic inflammation, and endothelial dysfunction. The food and medicine continuum (FMC) concept originates from traditional Chinese [...] Read more.
Cardiovascular disease (CVD) represents the leading cause of mortality worldwide, with atherosclerosis (AS) serving as its primary pathological foundation, involving multiple pathological processes, including lipid metabolism disorders, chronic inflammation, and endothelial dysfunction. The food and medicine continuum (FMC) concept originates from traditional Chinese medicine, emphasizing that certain foods possess both nutritional and medicinal value, aligning closely with the modern “food is medicine” philosophy. This narrative review examines the bioactive components and anti-atherosclerotic mechanisms of ten FMC materia medica: hawthorn fruit (Crataegus Fructus), ginkgo seed (Ginkgo Semen), milkvetch root (Astragali Radix), turmeric (Curcumae longae Rhizoma), ginger (Zingiberis Rhizoma Recens), glossy ganoderma (Ganoderma), Angelica sinensis (Angelicae sinensis Radix), barbary wolfberry fruit (Lycii Fructus), lotus leaf (Nelumbinis Folium), and honey (Mel). These materia medica are rich in bioactive constituents, including flavonoids, terpenoids, and polysaccharides, which can exert cardiovascular protective effects, such as regulating lipid metabolism, inhibiting inflammation and oxidative stress, improving endothelial function, and modulating gut microbiota. Regarding clinical evidence, meta-analyses support the beneficial effects of ginger and honey on cardiometabolic risk factors, though the field still faces challenges, including the need for higher-level clinical evidence and difficulties in product standardization. This review aims to integrate traditional knowledge with modern scientific approaches, providing scientific evidence for the development of functional foods and phytotherapy. Full article
(This article belongs to the Special Issue Bioactive Compounds from Plants and Foods: From Traditional Medicine to Modern Applications in Nutrition and Health)
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31 pages, 2036 KB  
Review
Cardiovascular Effects, Phytochemistry, Drug Interactions, and Safety Profile of Foeniculum vulgare Mill. (Fennel): A Comprehensive Review
by Amal Zahi, Amama Rani, Nahida Aktary, Muntajin Rahman, Hassane Mekhfi, Abderrahim Ziyyat, Moon Nyeo Park, Abdelkhaleq Legssyer and Bonglee Kim
Pharmaceuticals 2025, 18(11), 1761; https://doi.org/10.3390/ph18111761 - 19 Nov 2025
Cited by 5 | Viewed by 4309
Abstract
Background/Objectives: Cardiovascular diseases remain the leading cause of mortality worldwide. According to the World Heart Federation, more than 500 million people were living with cardiovascular diseases in 2021. In this context, the use of medicinal plants has become increasingly widespread in populations as [...] Read more.
Background/Objectives: Cardiovascular diseases remain the leading cause of mortality worldwide. According to the World Heart Federation, more than 500 million people were living with cardiovascular diseases in 2021. In this context, the use of medicinal plants has become increasingly widespread in populations as a preventive strategy against cardiovascular disorders. Foeniculum vulgare Mill., commonly known as fennel, is an aromatic and medicinal plant recognized for its beneficial properties in the treatment of various ailments, due to its richness in bioactive compounds. This review aims to summarize and analyze the cardiovascular activities of this plant, based on experimental evidence, and to provide an updated overview of its phytochemical composition and safety profile. Methods: A comprehensive literature search was conducted using databases including PubMed, Scopus, Web of Science, and Google Scholar, encompassing all publications available up to 2024. This search included research articles, reviews, mini-reviews, and clinical studies published in English. Exclusion criteria comprised publication types such as letters, conference abstracts, unpublished theses, and non-peer-reviewed reports. Studies were also excluded if they did not specifically address Foeniculum vulgare Mill. or its cardiovascular activities. All studies were screened according to predefined inclusion and exclusion criteria, and relevant data were systematically extracted and analyzed to synthesize current knowledge on the cardiovascular activities, mechanisms of action, phytochemical composition, safety, and potential drug interactions of Foeniculum vulgare Mill. Results: Numerous in vitro and in vivo studies have demonstrated that Foeniculum vulgare Mill. exhibits a wide range of activities beneficial for cardiovascular health. These include antihypertensive, cardioprotective, vasorelaxant, anti-inflammatory, antioxidant, diuretic, hypotensive, hypolipidemic, antiplatelet, and anticoagulant effects. Such pharmacological actions are largely attributed to its rich phytochemical composition, particularly its volatile oils (e.g., trans-anethole, fenchone), flavonoids (e.g., quercetin, kaempferol), and phenolic acids (e.g., p-coumaric acid, ferulic acid). Most studies report no significant signs of toxicity. Conclusions: Foeniculum vulgare Mill. emerges as a promising medicinal plant for the prevention and management of cardiovascular diseases, owing to its multifaceted beneficial effects and its favorable safety profile. However, potential interactions with cardiovascular drugs and the current limitations of existing studies highlight the need for further clinical research to fully establish its therapeutic potential. Full article
(This article belongs to the Special Issue Bioactive Compounds from Plants and Foods: From Traditional Medicine to Modern Applications in Nutrition and Health)
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