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14 pages, 2614 KiB

Open AccessArticle

Identification of Bioactive Compounds from the Roots of Rehmannia glutinosa and Their In Silico and In Vitro AMPK Activation Potential

by Hwaryeong Lee, Isoo Youn, Sang Gyun Noh, Hyun Woo Kim, Eunhye Song, Sang-Jip Nam, Hae Young Chung and Eun Kyoung Seo

Molecules 2024, 29(24), 6009; https://doi.org/10.3390/molecules29246009 - 20 Dec 2024

Viewed by 563

Abstract

Rehmannia glutinosa Libosch., which belongs to the Orobanchaceae family, is a perennial herb found in China, Japan, and Korea. In traditional medicine, it is used to cool the body, improve water metabolism in the kidney, and provide protection from metabolic diseases such as [...] Read more.

Rehmannia glutinosa Libosch., which belongs to the Orobanchaceae family, is a perennial herb found in China, Japan, and Korea. In traditional medicine, it is used to cool the body, improve water metabolism in the kidney, and provide protection from metabolic diseases such as type 2 diabetes mellitus (T2DM) and obesity. In this study, three new compounds were isolated from the roots of R. glutinosa, along with eighteen known compounds. Structure elucidation was performed with spectroscopic analyses including nuclear magnetic resonance (NMR) and circular dichroism (CD) spectroscopy. As the AMP-activated protein kinase (AMPK) signaling pathway is reportedly related to metabolic diseases, AMPK activation studies were conducted using in silico simulations and in vitro assays. Among the isolated compounds, 1 showed a potential as an AMPK activator in both in silico simulations and in vitro experiments. Our findings expand the chemical profiles of the plant R. glutinosa and suggest that one newly found compound (1) activates AMPK. Full article

(This article belongs to the Special Issue Unveiling the Applications of Bioactive Compounds in Functional Foods for Optimal Human Health)

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18 pages, 2473 KiB

Open AccessArticle

Quercetin and Mesenchymal Stem Cell Metabolism: A Comparative Analysis of Young and Senescent States

by Alexandra Ivan, Alexandra Teodora Lukinich-Gruia, Iustina-Mirabela Cristea, Maria-Alexandra Pricop, Crenguta Livia Calma, Alina-Georgiana Simina, Călin Adrian Tatu, Atena Galuscan and Virgil Păunescu

Molecules 2024, 29(23), 5755; https://doi.org/10.3390/molecules29235755 - 5 Dec 2024

Viewed by 712

Abstract

Quercetin is a natural flavonoid renowned for its potent antioxidant, anti-inflammatory, anti-diabetic, and antibacterial properties, making it a highly promising candidate for the treatment of various medical conditions. Our current study investigates the influence of quercetin on energy metabolism, fatty acid composition, oxidative [...] Read more.

Quercetin is a natural flavonoid renowned for its potent antioxidant, anti-inflammatory, anti-diabetic, and antibacterial properties, making it a highly promising candidate for the treatment of various medical conditions. Our current study investigates the influence of quercetin on energy metabolism, fatty acid composition, oxidative stress gene expression, and sirtuin expression in early- and late-stage passages of stem cells derived from human exfoliated deciduous teeth (SHEDs). Mitochondrial respiration was analyzed by measuring oxygen consumption following a 24 h quercetin treatment, while fatty acid profiles were examined using gas chromatography–mass spectrometry (GC-MS). Additionally, quantitative PCR (qPCR) was used to assess the expression of oxidative stress genes and sirtuins. In younger SHEDs, quercetin enhances metabolic activity and mitochondrial respiration, although higher doses may decrease mitochondrial activity. Conversely, in older, senescent SHEDs, quercetin supports mitochondrial function at lower concentrations but appears to inhibit respiration at higher doses. These results suggest that quercetin may hold therapeutic potential for maintaining SHED viability and function, especially at lower doses in older cells. Further research is essential to fully elucidate a dose-dependent effect of quercetin and optimize its applications in regenerative medicine. Full article

(This article belongs to the Special Issue Unveiling the Applications of Bioactive Compounds in Functional Foods for Optimal Human Health)

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23 pages, 3455 KiB

Open AccessArticle

Screening and Characterization of Phenolic Compounds from Selected Unripe Fruits and Their Antioxidant Potential

by Akhtar Ali, Zeshan Asgher, Jeremy J. Cottrell and Frank R. Dunshea

Molecules 2024, 29(1), 167; https://doi.org/10.3390/molecules29010167 - 27 Dec 2023

Cited by 1 | Viewed by 1599

Abstract

The food sector’s interest in sustainability and the demand for novel bioactive compounds are increasing. Many fruits are wasted every year before ripening due to various climatic conditions and harsh weather. Unripe mangoes, grapes, and black lemons could be rich sources of phenolic [...] Read more.

The food sector’s interest in sustainability and the demand for novel bioactive compounds are increasing. Many fruits are wasted every year before ripening due to various climatic conditions and harsh weather. Unripe mangoes, grapes, and black lemons could be rich sources of phenolic compounds that need to be fully elucidated. Using fruit waste as a source of bioactive chemicals has grown increasingly appealing as it may have significant economic benefits. Polyphenols are beneficial for human health to inhibit or minimize oxidative stress and can be used to develop functional and nutraceutical food products. In this context, this study aimed to characterize and screen unripe mangoes, grapes, and black lemons for phenolic compounds using LC-ESI-QTOF-MS/MS and their antioxidant activities. Unripe mangoes were quantified with higher total phenolic content (TPC, 58.01 ± 6.37 mg GAE/g) compared to black lemon (23.08 ± 2.28 mg GAE/g) and unripe grapes (19.42 ± 1.16 mg GAE/g). Furthermore, unripe mangoes were also measured with higher antioxidant potential than unripe grapes and black lemons. A total of 85 phenolic compounds (70 in black lemons, 49 in unripe grapes, and 68 in unripe mango) were identified, and 23 phenolic compounds were quantified using LC-MS/MS. Procyanidin B2, gallic acid, epicatechin, caffeic acid, quercetin, and chlorogenic acid were measured with higher concentration in these selected unripe fruits. A positive correlation was found between phenolic contents and the antioxidant activities of unripe fruits. Furthermore, chemometric analysis was conducted to validate the results. This study will explore the utilization of these unripe fruits to develop functional and therapeutic foods. Full article

(This article belongs to the Special Issue Unveiling the Applications of Bioactive Compounds in Functional Foods for Optimal Human Health)

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16 pages, 3328 KiB

Open AccessArticle

Phenolic Compounds and Capsaicinoids in Three Capsicum annuum Varieties: From Analytical Characterization to In Silico Hypotheses on Biological Activity

by Deborah Giordano, Angelo Facchiano, Paola Minasi, Nunzio D’Agostino, Mario Parisi and Virginia Carbone

Molecules 2023, 28(19), 6772; https://doi.org/10.3390/molecules28196772 - 22 Sep 2023

Cited by 4 | Viewed by 2022

Abstract

The affinity of specific phenolic compounds (PCs) and capsaicinoids (CAPs) present in three Capsicum annuum varieties (Friariello, Cayenne and Dzuljunska Sipka) to the transient receptor potential vanilloid member 1 (TRPV1) was investigated by integrating an analytic approach for the simultaneous extraction and analysis [...] Read more.

The affinity of specific phenolic compounds (PCs) and capsaicinoids (CAPs) present in three Capsicum annuum varieties (Friariello, Cayenne and Dzuljunska Sipka) to the transient receptor potential vanilloid member 1 (TRPV1) was investigated by integrating an analytic approach for the simultaneous extraction and analysis through high-performance liquid chromatography coupled with ion trap mass spectrometry (HPLC/ITMS) and UV detection (HPLC-UV) of PCs and CAPs and structural bioinformatics based on the protein modelling and molecular simulations of protein–ligand docking. Overall, a total of 35 compounds were identified in the different samples and CAPs were quantified. The highest content of total polyphenols was recorded in the pungent Dzuljunska Sipka variety (8.91 ± 0.05 gGAE/Kg DW) while the lowest was found in the non-pungent variety Friariello (3.58 ± 0.02 gGAE/Kg DW). Protein modelling generated for the first time a complete model of the homotetrameric human TRPV1, and it was used for docking simulations with the compounds detected via the analytic approach, as well as with other compounds, as an inhibitor reference. The simulations indicate that different capsaicinoids can interact with the receptor, providing details on the molecular interaction, with similar predicted binding energy values. These results offer new insights into the interaction of capsaicinoids with TRPV1 and their possible actions. Full article

(This article belongs to the Special Issue Unveiling the Applications of Bioactive Compounds in Functional Foods for Optimal Human Health)

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17 pages, 3102 KiB

Open AccessArticle

Microbial-Transferred Metabolites of Black Tea Theaflavins by Human Gut Microbiota and Their Impact on Antioxidant Capacity

by Li Sun, You Su, Kaiyin Hu, Daxiang Li, Huimin Guo and Zhongwen Xie

Molecules 2023, 28(15), 5871; https://doi.org/10.3390/molecules28155871 - 4 Aug 2023

Cited by 9 | Viewed by 2484

Abstract

Theaflavins (TFs), the primary bioactive components in black tea, are poorly absorbed in the small intestine. However, the biological activity of TFs does not match their low bioavailability, which suggests that the gut microbiota plays a crucial role in their biotransformation and activities. [...] Read more.

Theaflavins (TFs), the primary bioactive components in black tea, are poorly absorbed in the small intestine. However, the biological activity of TFs does not match their low bioavailability, which suggests that the gut microbiota plays a crucial role in their biotransformation and activities. In this study, we aimed to investigate the biotransferred metabolites of TFs produced by the human gut microbiota and these metabolites’ function. We profiled the microbial metabolites of TFs by in vitro anaerobic human gut microbiota fermentation using liquid chromatography tandem mass spectrometry (LC-MS/MS) methods. A total of 17 microbial metabolites were identified, and their corresponding metabolic pathways were proposed. Moreover, full-length 16S rRNA gene sequence analysis revealed that the TFs altered the gut microbiota diversity and increased the relative abundance of specific members of the microbiota involved in the catabolism of the TFs, including Flavonifractor_plautii, Bacteroides_uniformis, Eubacterium_ramulus, etc. Notably, the antioxidant capacity of the TF sample increased after fermentation compared to the initial sample. In conclusion, the results contribute to a more comprehensive understanding of the microbial metabolites and antioxidant capacity of TFs. Full article

(This article belongs to the Special Issue Unveiling the Applications of Bioactive Compounds in Functional Foods for Optimal Human Health)

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Review

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35 pages, 4372 KiB

Open AccessReview

Selenium and Selenoproteins: Mechanisms, Health Functions, and Emerging Applications

by Shahidin, Yan Wang, Yilong Wu, Taixia Chen, Xiaoyun Wu, Wenjuan Yuan, Qiangqiang Zhu, Xuanjun Wang and Chengting Zi

Molecules 2025, 30(3), 437; https://doi.org/10.3390/molecules30030437 (registering DOI) - 21 Jan 2025

Viewed by 196

Abstract

Selenium (Se) is an essential trace element crucial for human health that primarily functions as an immunonutrient. It is incorporated into polypeptides such as selenocysteine (SeC) and selenomethionine (SeMet), two key amino acids involved in various biochemical processes. All living organisms can convert [...] Read more.

Selenium (Se) is an essential trace element crucial for human health that primarily functions as an immunonutrient. It is incorporated into polypeptides such as selenocysteine (SeC) and selenomethionine (SeMet), two key amino acids involved in various biochemical processes. All living organisms can convert inorganic Se into biologically active organic forms, with SeMet being the predominant form and a precursor for SeC production in humans and animals. The human genome encodes 25 selenoprotein genes, which incorporate low-molecular-weight Se compounds in the form of SeC. Organic Se, especially in the form of selenoproteins, is more efficiently absorbed than inorganic Se, driving the demand for selenoprotein-based health products, such as functional foods. Se-enriched functional foods offer a practical means of delivering bioavailable Se and are associated with enhanced antioxidant properties and various health benefits. Recent advancements in selenoprotein synthesis have improved our understanding of their roles in antioxidant defense, cancer prevention, immune regulation, anti-inflammation, hypoglycemia, cardiovascular health, Alzheimer’s disease, fertility, and COVID-19. This review highlights key selenoproteins and their biological functions, biosynthetic pathways, and emerging applications while highlighting the need for further research. Full article

(This article belongs to the Special Issue Unveiling the Applications of Bioactive Compounds in Functional Foods for Optimal Human Health)

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35 pages, 1587 KiB

Open AccessReview

Bioactive Dairy-Fermented Products and Phenolic Compounds: Together or Apart

by Barbara Wróblewska, Aleksandra Kuliga and Kinga Wnorowska

Molecules 2023, 28(24), 8081; https://doi.org/10.3390/molecules28248081 - 14 Dec 2023

Cited by 7 | Viewed by 3165

Abstract

Fermented dairy products (e.g., yogurt, kefir, and buttermilk) are significant in the dairy industry. They are less immunoreactive than the raw materials from which they are derived. The attractiveness of these products is based on their bioactivity and properties that induce immune or [...] Read more.

Fermented dairy products (e.g., yogurt, kefir, and buttermilk) are significant in the dairy industry. They are less immunoreactive than the raw materials from which they are derived. The attractiveness of these products is based on their bioactivity and properties that induce immune or anti-inflammatory processes. In the search for new solutions, plant raw materials with beneficial effects have been combined to multiply their effects or obtain new properties. Polyphenols (e.g., flavonoids, phenolic acids, lignans, and stilbenes) are present in fruit and vegetables, but also in coffee, tea, or wine. They reduce the risk of chronic diseases, such as cancer, diabetes, or inflammation. Hence, it is becoming valuable to combine dairy proteins with polyphenols, of which epigallocatechin-3-gallate (EGCG) and chlorogenic acid (CGA) show a particular predisposition to bind to milk proteins (e.g., α-lactalbumin β-lactoglobulin, αs1-casein, and κ-casein). Reducing the allergenicity of milk proteins by combining them with polyphenols is an essential issue. As potential ‘metabolic prebiotics’, they also contribute to stimulating the growth of beneficial bacteria and inhibiting pathogenic bacteria in the human gastrointestinal tract. In silico methods, mainly docking, assess the new structures of conjugates and the consequences of the interactions that are formed between proteins and polyphenols, as well as to predict their action in the body. Full article

(This article belongs to the Special Issue Unveiling the Applications of Bioactive Compounds in Functional Foods for Optimal Human Health)

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18 pages, 1714 KiB

Open AccessReview

Research Progress on Effects of Ginsenoside Rg2 and Rh1 on Nervous System and Related Mechanisms

by Silu Liu, Weijia Chen, Yan Zhao, Ying Zong, Jianming Li and Zhongmei He

Molecules 2023, 28(23), 7935; https://doi.org/10.3390/molecules28237935 - 4 Dec 2023

Cited by 7 | Viewed by 2799

Abstract

Neurological-related disorders are diseases that affect the body’s neurons or peripheral nerve tissue, such as Parkinson’s disease (PD) and Alzheimer’s disease (AD). The development of neurological disorders can cause serious harm to the quality of life and functioning of the patient. The use [...] Read more.

Neurological-related disorders are diseases that affect the body’s neurons or peripheral nerve tissue, such as Parkinson’s disease (PD) and Alzheimer’s disease (AD). The development of neurological disorders can cause serious harm to the quality of life and functioning of the patient. The use of traditional therapeutic agents such as dopamine-promoting drugs, anticholinergic drugs, cholinesterase inhibitors, and NMDA receptor antagonists is often accompanied by a series of side effects such as drug resistance, cardiac arrhythmia, liver function abnormalities, and blurred vision. Therefore, there is an urgent need to find a therapeutic drug with a high safety profile and few side effects. Herbal medicines are rich in active ingredients that are natural macromolecules. Ginsenoside is the main active ingredient of ginseng, which has a variety of pharmacological effects and is considered to have potential value in the treatment of human diseases. Modern pharmacological studies have shown that ginsenosides Rg2 and Rh1 have strong pharmacological activities in the nervous system, with protective effects on nerve cells, improved resistance to neuronal injury, modulation of neural activity, resistance to cerebral ischemia/reperfusion injury, improvement of brain damage after eclampsia hemorrhage, improvement of memory and cognitive deficits, treatment of AD and vascular dementia, alleviation of anxiety, pain, and inhibition of ionic-like behavior. In this article, we searched the pharmacological research literature of Rg2 and Rh1 in the field of neurological diseases, summarized the latest research progress of the two ginsenosides, and reviewed the pharmacological effects and mechanisms of Rg2 and Rh1, which provided a new way of thinking for the research of the active ingredients in ginseng anti-neurological diseases and the development of new drugs. Full article

(This article belongs to the Special Issue Unveiling the Applications of Bioactive Compounds in Functional Foods for Optimal Human Health)

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