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Structure Identification and Functional Mechanism of Natural Active Components

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A special issue of Foods (ISSN 2304-8158). This special issue belongs to the section "Plant Foods".

Deadline for manuscript submissions: closed (30 January 2022) | Viewed by 23942

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Special Issue Editor

Prof. Dr. Guowen Zhang

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Guest Editor

State Key Laboratory of Food Science and Technology, Nanchang University, Nanchang, China
Interests: food chemistry; food analysis; interaction; mechanism of action of small compounds and biomolecules; inhibitory effect of enzymatic activity; food contaminants; bioactive compounds
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

In recent years, the natural active components derived from plants have attracted widespread attention because of their abundant species and source advantages. With the continuous deepening of research, flavonoids, alkaloids, phenolic acids, polysaccharides, volatile oils, and other natural substances have gradually been recognized due to their extensive functional characteristics. Studies have shown that many natural active components have broad-spectrum biological activities, such as antioxidant, antihypertensive, hypoglycemic, anti-inflammatory, antibacterial, anticancer, enzyme-inhibiting activity, etc., which are valuable sources of research and development in food functional factors and novel drugs. Therefore, the development of natural functional food materials and the identification of active substances have broad research prospects. Systematical studies on the structure of components, physiological activities, structure–activity relationship, and mechanisms of action for active components using modern scientific methods and experimental means are hot research topics. In addition, the explorations of the combined effect and mechanism of various natural bioactive substances will provide a theoretical basis for the further processing and comprehensive development of resources from multiple levels and aspects. Recent advances also focus on discussions of their biological activities and stability in the food system and in vivo, which have important practical significance.

Prof. Dr. Guowen Zhang
Guest Editor

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Keywords

natural active components
antioxidant
structure identification
immunoregulation
functional mechanism
interaction
anti-inflammatory

Published Papers (10 papers)

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Editorial

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4 pages, 189 KiB

Open AccessEditorial

Structure Identification and Functional Mechanism of Natural Active Components: A Special Issue

by Zhaohua Huang, Miao Zhu and Guowen Zhang

Foods 2022, 11(9), 1285; https://doi.org/10.3390/foods11091285 - 28 Apr 2022

Viewed by 1084

Abstract

The natural active components derived from plants have attracted widespread attention due to their abundant species and source advantages [...] Full article

(This article belongs to the Special Issue Structure Identification and Functional Mechanism of Natural Active Components)

Research

Jump to: Editorial

14 pages, 3075 KiB

Open AccessArticle

Structure and Properties of Organogels Prepared from Rapeseed Oil with Stigmasterol

by Caili Tang, Zheng Wan, Yilu Chen, Yiyun Tang, Wei Fan, Yong Cao, Mingyue Song, Jingping Qin, Hang Xiao, Shiyin Guo and Zhonghai Tang

Foods 2022, 11(7), 939; https://doi.org/10.3390/foods11070939 - 24 Mar 2022

Cited by 10 | Viewed by 2051

Abstract

This work used the natural ingredient stigmasterol as an oleogelator to explore the effect of concentration on the properties of organogels. Organogels based on rapeseed oil were investigated using various techniques (oil binding capacity, rheology, polarized light microscopy, X-ray diffraction, and Fourier transform infrared spectroscopy) to better understand their physical and microscopic properties. Results showed that stigmasterol was an efficient and thermoreversible oleogelator, capable of structuring rapeseed oil at a stigmasterol concentration as low as 2% with a gelation temperature of 5 °C. The oil binding capacity values of organogels increased to 99.74% as the concentration of stigmasterol was increased to 6%. The rheological properties revealed that organogels prepared with stigmasterol were a pseudoplastic fluid with non-covalent physical crosslinking, and the G’ of the organogels did not change with the frequency of scanning increased, showing the characteristics of strong gel. The microscopic properties and Fourier transform infrared spectroscopy showed that stigmasterol formed rod-like crystals through the self-assembly of intermolecular hydrogen bonds, fixing rapeseed oil in its three-dimensional structure to form organogels. Therefore, stigmasterol can be considered as a good organogelator. It is expected to be widely used in food, medicine, and other biological-related fields. Full article

(This article belongs to the Special Issue Structure Identification and Functional Mechanism of Natural Active Components)

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18 pages, 9054 KiB

Open AccessArticle

Dissecting of the AI-2/LuxS Mediated Growth Characteristics and Bacteriostatic Ability of Lactiplantibacillus plantarum SS-128 by Integration of Transcriptomics and Metabolomics

by Yilin Qian, Yuan Li, Tengteng Xu, Huijuan Zhao, Mingyong Zeng and Zunying Liu

Foods 2022, 11(5), 638; https://doi.org/10.3390/foods11050638 - 22 Feb 2022

Cited by 10 | Viewed by 2291

Abstract

Lactiplantibacillus plantarum could regulate certain physiological functions through the AI-2/LuxS-mediated quorum sensing (QS) system. To explore the regulation mechanism on the growth characteristics and bacteriostatic ability of L. plantarum SS-128, a luxS mutant was constructed by a two-step homologous recombination. Compared with ΔluxS/SS-128, the metabolites of SS-128 had stronger bacteriostatic ability. The combined analysis of transcriptomics and metabolomics data showed that SS-128 exhibited higher pyruvate metabolic efficiency and energy input, followed by higher LDH level and metabolite overflow compared to ΔluxS/SS-128, resulting in stronger bacteriostatic ability. The absence of luxS induces a regulatory pathway that burdens the cysteine cycle by quantitatively drawing off central metabolic intermediaries. To accommodate this mutations, ΔluxS/SS-128 exhibited lower metabolite overflow and abnormal proliferation. These results demonstrate that the growth characteristic and metabolism of L. plantarum SS-128 are mediated by the AI-2/LuxS QS system, which is a positive regulator involved in food safety. It would be helpful to investigate more bio-preservation control potential of L. plantarum, especially when applied in food industrial biotechnology. Full article

(This article belongs to the Special Issue Structure Identification and Functional Mechanism of Natural Active Components)

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16 pages, 2598 KiB

Open AccessEditor’s ChoiceArticle

Inhibitory Mechanism of Baicalein on Acetylcholinesterase: Inhibitory Interaction, Conformational Change, and Computational Simulation

by Yijing Liao, Xing Hu, Junhui Pan and Guowen Zhang

Foods 2022, 11(2), 168; https://doi.org/10.3390/foods11020168 - 10 Jan 2022

Cited by 13 | Viewed by 2139

Abstract

Alzheimer’s disease (AD) is the most prevalent chronic neurodegenerative disease in elderly individuals, causing dementia. Acetylcholinesterase (AChE) is regarded as one of the most popular drug targets for AD. Herbal secondary metabolites are frequently cited as a major source of AChE inhibitors. In the current study, baicalein, a typical bioactive flavonoid, was found to inhibit AChE competitively, with an associated IC₅₀ value of 6.42 ± 0.07 µM, through a monophasic kinetic process. The AChE fluorescence quenching by baicalein was a static process. The binding constant between baicalein and AChE was an order of magnitude of 10⁴ L mol⁻¹, and hydrogen bonding and hydrophobic interaction were the major forces for forming the baicalein−AChE complex. Circular dichroism analysis revealed that baicalein caused the AChE structure to shrink and increased its surface hydrophobicity by increasing the α-helix and β-turn contents and decreasing the β-sheet and random coil structure content. Molecular docking revealed that baicalein predominated at the active site of AChE, likely tightening the gorge entrance and preventing the substrate from entering and binding with the enzyme, resulting in AChE inhibition. The preceding findings were confirmed by molecular dynamics simulation. The current study provides an insight into the molecular-level mechanism of baicalein interaction with AChE, which may offer new ideas for the research and development of anti-AD functional foods and drugs. Full article

(This article belongs to the Special Issue Structure Identification and Functional Mechanism of Natural Active Components)

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27 pages, 67503 KiB

Open AccessArticle

Mechanistic Insights into Biological Activities of Polyphenolic Compounds from Rosemary Obtained by Inverse Molecular Docking

by Samo Lešnik and Urban Bren

Foods 2022, 11(1), 67; https://doi.org/10.3390/foods11010067 - 28 Dec 2021

Cited by 18 | Viewed by 3405

Abstract

Rosemary (Rosmarinus officinalis L.) represents a medicinal plant known for its various health-promoting properties. Its extracts and essential oils exhibit antioxidative, anti-inflammatory, anticarcinogenic, and antimicrobial activities. The main compounds responsible for these effects are the diterpenes carnosic acid, carnosol, and rosmanol, as well as the phenolic acid ester rosmarinic acid. However, surprisingly little is known about the molecular mechanisms responsible for the pharmacological activities of rosemary and its compounds. To discern these mechanisms, we performed a large-scale inverse molecular docking study to identify their potential protein targets. Listed compounds were separately docked into predicted binding sites of all non-redundant holo proteins from the Protein Data Bank and those with the top scores were further examined. We focused on proteins directly related to human health, including human and mammalian proteins as well as proteins from pathogenic bacteria, viruses, and parasites. The observed interactions of rosemary compounds indeed confirm the beforementioned activities, whereas we also identified their potential for anticoagulant and antiparasitic actions. The obtained results were carefully checked against the existing experimental findings from the scientific literature as well as further validated using both redocking procedures and retrospective metrics. Full article

(This article belongs to the Special Issue Structure Identification and Functional Mechanism of Natural Active Components)

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11 pages, 1425 KiB

Open AccessArticle

Inhibition of Biofilm Formation of Foodborne Staphylococcus aureus by the Citrus Flavonoid Naringenin

by Qing-Hui Wen, Rui Wang, Si-Qi Zhao, Bo-Ru Chen and Xin-An Zeng

Foods 2021, 10(11), 2614; https://doi.org/10.3390/foods10112614 - 28 Oct 2021

Cited by 20 | Viewed by 2621

Abstract

Taking into consideration the importance of biofilms in food deterioration and the potential risks of antiseptic compounds, antimicrobial agents that naturally occurring are a more acceptable choice for preventing biofilm formation and in attempts to improve antibacterial effects and efficacy. Citrus flavonoids possess a variety of biological activities, including antimicrobial properties. Therefore, the anti-biofilm formation properties of the citrus flavonoid naringenin on the Staphylococcus aureus ATCC 6538 (S. aureus) were investigated using subminimum inhibitory concentrations (sub-MICs) of 5~60 mg/L. The results were confirmed using laser and scanning electron microscopy techniques, which revealed that the thick coating of S. aureus biofilms became thinner and finally separated into individual colonies when exposed to naringenin. The decreased biofilm formation of S. aureus cells may be due to a decrease in cell surface hydrophobicity and exopolysaccharide production, which is involved in the adherence or maturation of biofilms. Moreover, transcriptional results show that there was a downregulation in the expression of biofilm-related genes and alternative sigma factor sigB induced by naringenin. This work provides insight into the anti-biofilm mechanism of naringenin in S. aureus and suggests the possibility of naringenin being used in the industrial food industry for the prevention of biofilm formation. Full article

(This article belongs to the Special Issue Structure Identification and Functional Mechanism of Natural Active Components)

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20 pages, 3917 KiB

Open AccessArticle

Component Identification of Phenolic Acids in Cell Suspension Cultures of Saussureainvolucrata and Its Mechanism of Anti-Hepatoma Revealed by TMT Quantitative Proteomics

by Junpeng Gao, Yi Wang, Bo Lyu, Jian Chen and Guang Chen

Foods 2021, 10(10), 2466; https://doi.org/10.3390/foods10102466 - 15 Oct 2021

Cited by 2 | Viewed by 1784

Abstract

Saussurea involucrata (S. involucrata) had been reported to have anti-hepatoma function. However, the mechanism is complex and unclear. To evaluate the anti-hepatoma mechanism of S. involucrata comprehensively and make a theoretical basis for the mechanical verification of later research, we carried out this work. In this study, the total phenolic acids from S. involucrata determined by a cell suspension culture (ESPI) was mainly composed of 4,5-dicaffeoylquinic acid, according to the LC-MS analysis. BALB/c nude female mice were injected with HepG2 cells to establish an animal model of liver tumor before being divided into a control group, a low-dose group, a middle-dose group, a high-dose group, and a DDP group. Subsequently, EPSI was used as the intervention drug for mice. Biochemical indicators and differences in protein expression determined by TMT quantitative proteomics were used to resolve the mechanism after the low- (100 mg/kg), middle- (200 mg/kg), and high-dose (400 mg/kg) interventions for 24 days. The results showed that EPSI can not only limit the growth of HepG2 cells in vitro, but also can inhibit liver tumors significantly with no toxicity at high doses in vivo. Proteomics analysis revealed that the upregulated differentially expressed proteins (DE proteins) in the high-dose group were over three times that in the control group. ESPI affected the pathways significantly associated with the protein metabolic process, metabolic process, catalytic activity, hydrolase activity, proteolysis, endopeptidase activity, serine-type endopeptidase activity, etc. The treatment group showed significant differences in the pathways associated with the renin-angiotensin system, hematopoietic cell lineage, etc. In conclusion, ESPI has a significant anti-hepatoma effect and the potential mechanism was revealed. Full article

(This article belongs to the Special Issue Structure Identification and Functional Mechanism of Natural Active Components)

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15 pages, 1708 KiB

Open AccessArticle

Metabolism of Phenolics of Tetrastigma hemsleyanum Roots under In Vitro Digestion and Colonic Fermentation as Well as Their In Vivo Antioxidant Activity in Rats

by Yong Sun, Fanghua Guo, Xin Peng, Kejun Cheng, Lu Xiao, Hua Zhang, Hongyan Li, Li Jiang and Zeyuan Deng

Foods 2021, 10(9), 2123; https://doi.org/10.3390/foods10092123 - 08 Sep 2021

Cited by 14 | Viewed by 1984

Abstract

Tetrastigma hemsleyanum Diels et Gilg is a herbaceous perennial species distributed mainly in southern China. The Tetrastigma hemsleyanum root (THR) has been prevalently consumed as a functional tea or dietary supplement. In vitro digestion models, including colonic fermentation, were built to evaluate the release and stability of THR phenolics with the method of HPLC-QqQ-MS/MS and UPLC-Qtof-MS/MS. From the oral cavity, the contents of total phenolic and flavonoid began to degrade. Quercetin-3-rutinoside, quercetin-3-glucoside, kaempferol-3-rutinoside, and kaempferol-3-glucoside were metabolized as major components and they were absorbed in the form of glycosides for hepatic metabolism. On the other hand, the total antioxidant capacity (T-AOC), superoxide dismutase (SOD), glutathione peroxidase (GSH-Px) activity, and glutathione (GSH) content were significantly increased, while malondialdehyde (MDA) content was decreased in plasma and tissues of rats treated with THR extract in the oxidative stress model. These results indicated that the THR extract is a good antioxidant substance and has good bioavailability, which can effectively prevent some chronic diseases caused by oxidative stress. It also provides a basis for the effectiveness of THR as a traditional functional food. Full article

(This article belongs to the Special Issue Structure Identification and Functional Mechanism of Natural Active Components)

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15 pages, 2669 KiB

Open AccessArticle

4-Hydroxyderricin Promotes Apoptosis and Cell Cycle Arrest through Regulating PI3K/AKT/mTOR Pathway in Hepatocellular Cells

by Xiang Gao, Yuhuan Jiang, Qi Xu, Feng Liu, Xuening Pang, Mingji Wang, Qun Li and Zichao Li

Foods 2021, 10(9), 2036; https://doi.org/10.3390/foods10092036 - 29 Aug 2021

Cited by 11 | Viewed by 2462

Abstract

4-hydroxyderricin (4-HD), as a natural flavonoid compound derived from Angelica keiskei, has largely unknown inhibition and mechanisms on liver cancer. Herein, we investigated the inhibitory effects of 4-HD on hepatocellular carcinoma (HCC) cells and clarified the potential mechanisms by exploring apoptosis and cell cycle arrest mediated via the PI3K/AKT/mTOR signaling pathway. Our results show that 4-HD treatment dramatically decreased the survival rate and activities of HepG2 and Huh7 cells. The protein expressions of apoptosis-related genes significantly increased, while those related to the cell cycle were decreased by 4-HD. 4-HD also down-regulated PI3K, p-PI3K, p-AKT, and p-mTOR protein expression. Moreover, PI3K inhibitor (LY294002) enhanced the promoting effect of 4-HD on apoptosis and cell cycle arrest in HCC cells. Consequently, we demonstrate that 4-HD can suppress the proliferation of HCC cells by promoting the PI3K/AKT/mTOR signaling pathway mediated apoptosis and cell cycle arrest. Full article

(This article belongs to the Special Issue Structure Identification and Functional Mechanism of Natural Active Components)

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17 pages, 2996 KiB

Open AccessArticle

The Chemical, Structural, and Biological Properties of Crude Polysaccharides from Sweet Tea (Lithocarpus litseifolius (Hance) Chun) Based on Different Extraction Technologies

by Huan Guo, Meng-Xi Fu, Yun-Xuan Zhao, Hang Li, Hua-Bin Li, Ding-Tao Wu and Ren-You Gan

Foods 2021, 10(8), 1779; https://doi.org/10.3390/foods10081779 - 31 Jul 2021

Cited by 22 | Viewed by 3039

Abstract

Eight extraction technologies were used to extract sweet tea (Lithocarpus litseifolius (Hance) Chun) crude polysaccharides (STPs), and their chemical, structural, and biological properties were studied and compared. Results revealed that the compositions, structures, and biological properties of STPs varied dependent on different extraction technologies. Protein-bound polysaccharides and some hemicellulose could be extracted from sweet tea with diluted alkali solution. STPs extracted by deep-eutectic solvents and diluted alkali solution exhibited the most favorable biological properties. Moreover, according to the heat map, total phenolic content was most strongly correlated with biological properties, indicating that the presence of phenolic compounds in STPs might be the main contributor to their biological properties. To the best of our knowledge, this study reports the chemical, structural, and biological properties of STPs, and the results contribute to understanding the relationship between the chemical composition and biological properties of STPs. Full article

(This article belongs to the Special Issue Structure Identification and Functional Mechanism of Natural Active Components)

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