Molecules

Research

Jump to: Review

16 pages, 5255 KiB

Open AccessArticle

Effects of Infrared and Microwave Radiation on the Bioactive Compounds of Microalga Spirulina platensis after Continuous and Intermittent Drying

by Neiton C. Silva, Isabelle S. Graton, Claudio R. Duarte and Marcos A. S. Barrozo

Molecules 2023, 28(16), 5963; https://doi.org/10.3390/molecules28165963 - 9 Aug 2023

Cited by 6 | Viewed by 1593

Abstract

Pharmaceutical, nutritional and food industries have recently become interested in the potential of Spirulina platensis, a kind of cyanobacterium with high levels of proteins, vitamins and bioactive compounds. Because of its high moisture, this microalga needs to be submitted to a preservation [...] Read more.

Pharmaceutical, nutritional and food industries have recently become interested in the potential of Spirulina platensis, a kind of cyanobacterium with high levels of proteins, vitamins and bioactive compounds. Because of its high moisture, this microalga needs to be submitted to a preservation technique such as drying to be properly used. The aim of this work is to investigate the use of infrared and microwave radiation in the Spirulina platensis drying process. The experiments were performed in continuous and intermittent modes, evaluating different operating conditions for infrared and microwave drying, as well as their effects on the quality of the final product, expressed by the content of bioactive compounds (i.e., total phenolic, total flavonoid, citric acid and phycocyanin contents). The results proved that the use of electromagnetic radiation in the drying of spirulina is an interesting alternative for processing this material if performed under adequate operating conditions. The experiments carried out continuously at lower temperatures and powers and the combination between different temperatures and powers in the intermittent mode resulted in a final product with satisfactory levels of bioactive compounds and low operation times in comparison with conventional methodologies. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Figure 1

19 pages, 2990 KiB

Open AccessArticle

Characterization of Some Stilbenoids Extracted from Two Cultivars of Lambrusco—Vitis vinifera Species: An Opportunity to Valorize Pruning Canes for a More Sustainable Viticulture

by Veronica D’Eusanio, Francesco Genua, Andrea Marchetti, Lorenzo Morelli and Lorenzo Tassi

Molecules 2023, 28(10), 4074; https://doi.org/10.3390/molecules28104074 - 13 May 2023

Cited by 5 | Viewed by 1357

Abstract

Pruning canes from grape vines are valuable byproducts that contain resveratrol and other health-boosting stilbenoids. This study aimed to assess the effect of roasting temperature on the stilbenoid content of vine canes by comparing two Vitis vinifera cultivars, Lambrusco Ancellotta and Salamino. Samples [...] Read more.

Pruning canes from grape vines are valuable byproducts that contain resveratrol and other health-boosting stilbenoids. This study aimed to assess the effect of roasting temperature on the stilbenoid content of vine canes by comparing two Vitis vinifera cultivars, Lambrusco Ancellotta and Salamino. Samples were collected during different phases of the vine plant cycle. One set was collected in September after the grape harvest and was air-dried and analyzed. A second set was obtained during vine pruning in February and evaluated immediately after collection. The main stilbenoid identified in each sample was resveratrol (~100–2500 mg/kg), with significant levels of viniferin (~100–600 mg/kg) and piceatannol (~0–400 mg/kg). Their contents decreased with increasing roasting temperature and residence time on the plant. This study provides valuable insights into the use of vine canes in a novel and efficient manner, which could potentially benefit different industries. One potential use involves the roasted cane chips to accelerate the aging of vinegars and alcoholic beverages. This method is more efficient and cost-effective than traditional aging, which is slow and unfavorable from an industrial perspective. Furthermore, incorporating vine canes into maturation processes reduces viticulture waste and enhances the final products with health-promoting molecules, such as resveratrol. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Figure 1

13 pages, 1926 KiB

Open AccessArticle

Preventing Mislabeling: A Comparative Chromatographic Analysis for Classifying Medical and Industrial Cannabis

by Julio Salazar-Bermeo, Bryan Moreno-Chamba, María Concepción Martínez-Madrid, Manuel Valero, Joaquín Rodrigo-García, Farah Hosseinian, Francisco Martín-Bermudo, Manuel Aguado, Rosa de la Torre, Nuria Martí and Domingo Saura

Molecules 2023, 28(8), 3552; https://doi.org/10.3390/molecules28083552 - 18 Apr 2023

Cited by 3 | Viewed by 2193

Abstract

Gas chromatography (GC) techniques for analyzing and determining the cannabinoid profile in cannabis (Cannabis sativa L.) are widely used in standard laboratories; however, these methods may mislabel the profile when used under rapid conditions. Our study aimed to highlight this problem and [...] Read more.

Gas chromatography (GC) techniques for analyzing and determining the cannabinoid profile in cannabis (Cannabis sativa L.) are widely used in standard laboratories; however, these methods may mislabel the profile when used under rapid conditions. Our study aimed to highlight this problem and optimize GC column conditions and mass spectrometry (MS) parameters to accurately identify cannabinoids in both standards and forensic samples. The method was validated for linearity, selectivity, and precision. It was observed that when tetrahydrocannabinol (Δ9-THC) and cannabidiolic acid (CBD-A) were examined using rapid GC conditions, the resulting derivatives generated identical retention times. Wider chromatographic conditions were applied. The linear range for each compound ranged from 0.02 μg/mL to 37.50 μg/mL. The R² values ranged from 0.996 to 0.999. The LOQ values ranged from 0.33 μg/mL to 5.83 μg/mL, and the LOD values ranged from 0.11 μg/mL to 1.92 μg/mL. The precision values ranged from 0.20% to 8.10% RSD. In addition, forensic samples were analyzed using liquid chromatography (HPLC-DAD) in an interlaboratory comparison test, with higher CBD and THC content than GC–MS determination (p < 0.05) in samples. Overall, this study highlights the importance of optimizing GC techniques to avoid mislabeling cannabinoids in cannabis samples. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Figure 1

16 pages, 3888 KiB

Open AccessArticle

Nicotiana tabacum Leaf Waste: Morphological Characterization and Chemical-Functional Analysis of Extracts Obtained from Powder Leaves by Using Green Solvents

by Mariana Leal, María Alejandra Moreno, Patricia Liliana Albornoz, María Inés Mercado, Iris Catiana Zampini and María Inés Isla

Molecules 2023, 28(3), 1396; https://doi.org/10.3390/molecules28031396 - 1 Feb 2023

Cited by 13 | Viewed by 3999

Abstract

Tobacco cultivation and industrialization are characterized by the production of trillions of pre-harvest and post-harvest waste biomasses each year with the resulting negative effects on the environment. The leaves of blunt, pre-harvest waste, could be further used to obtain bioactive metabolites, i.e., polyphenols [...] Read more.

Tobacco cultivation and industrialization are characterized by the production of trillions of pre-harvest and post-harvest waste biomasses each year with the resulting negative effects on the environment. The leaves of blunt, pre-harvest waste, could be further used to obtain bioactive metabolites, i.e., polyphenols and alkaloids, for its potential cosmetic use. This study was conducted to obtain bio-compounds from pre-harvest tobacco leaf waste (var. Virginia) by applying conventional and green solvents (NaDES). Leaves and ground leaf waste were characterized based on their microscopic features. Conventional solvents, such as water, acetone, ethanol, and non-conventional solvents, such as Natural Deep Eutectic Solvents (NaDES), i.e., sucrose:lactic acid (LAS), frutose:glucose:sucrose (FGS), lactic acid:sucrose:water (SALA), choline chloride:urea (CU), and citric acid: propylene glycol (CAP) were used for bioactive extraction from tobacco waste powder. CU, FGS, and acetone/ethanol had similar behavior for the best extraction of alkaloids (6.37–11.23 mg ACE/g tobacco powder). LAS, FGS, SALA, and CU were more effective in phenolic compound extraction than conventional solvents (18.13–21.98 mg AGE/g tobacco powder). Because of this, LAS and SALA could be used to obtain phenolic-enriched extracts with lower alkaloid content rather than CU and FGS. Extracts of the powder obtained with conventional solvent or CU showed a high level of sugars (47 mg/g tobacco powder) The ABTS antioxidant capacity of tobacco leaf powder was higher in the extracts obtained with CU, FGS, and acetone (SC₅₀ 1.6–5 µg GAE/mL) while H₂O₂ scavenging activity was better in the extracts obtained with LAS, CAP and SALA (SC₅₀ 3.8–8.7 µg GAE/mL). Due to the biocompatibility of the NaDES with the components of tobacco leaf waste, the opportunity to apply these extracts directly in antioxidant formulations, such as cosmetics, phytotherapic, and other formulations of topic use seems promising. Furthermore, NaDES constituents, i.e., urea and organic acid can also have beneficial effects on the skin. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Figure 1

19 pages, 1318 KiB

Open AccessArticle

Comprehensive Evaluation of the Bioactive Composition and Neuroprotective and Antimicrobial Properties of Vacuum-Dried Broccoli (Brassica oleracea var. italica) Powder and Its Antioxidants

by Antonio Vega-Galvez, Elsa Uribe, Alexis Pasten, Javiera Camus, Luis S. Gomez-Perez, Nicol Mejias, René L. Vidal, Felipe Grunenwald, Lorgio E. Aguilera and Gabriela Valenzuela-Barra

Molecules 2023, 28(2), 766; https://doi.org/10.3390/molecules28020766 - 12 Jan 2023

Cited by 8 | Viewed by 2434

Abstract

In this study, vacuum drying (VD) was employed as an approach to protect the bioactive components of and produce dried broccoli powders with a high biological activity. To achieve these goals, the effects of temperature (at the five levels of 50, 60, 70, [...] Read more.

In this study, vacuum drying (VD) was employed as an approach to protect the bioactive components of and produce dried broccoli powders with a high biological activity. To achieve these goals, the effects of temperature (at the five levels of 50, 60, 70, 80 and 90 °C) and constant vacuum pressure (10 kPa) were evaluated. The results show that, with the increasing temperature, the drying time decreased. Based on the statistical tests, the Brunauer–Emmett–Teller (BET) model was found to fit well to sorption isotherms, whereas the Midilli and Kucuk model fit well to the drying kinetics. VD has a significant impact on several proximate composition values. As compared with the fresh sample, VD significantly reduced the total phenol, flavonoid and glucosinolate contents. However, it was shown that VD at higher temperatures (80 and 90 °C) contributed to a better antioxidant potential of broccoli powder. In contrast, 50 °C led to a better antimicrobial and neuroprotective effects, presumably due to the formation of isothiocyanate (ITC). Overall, this study demonstrates that VD is a promising technique for the development of extracts from broccoli powders that could be used as natural preservatives or as a neuroprotective agent. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Figure 1

15 pages, 1636 KiB

Open AccessArticle

The Fate and Intermediary Metabolism of Soyasapogenol in the Rat

by Chenghui Pan, Yonggang Yan and Dayun Zhao

Molecules 2023, 28(1), 284; https://doi.org/10.3390/molecules28010284 - 29 Dec 2022

Cited by 2 | Viewed by 2246

Abstract

Research suggests that soyasaponins are poorly absorbed in the GI tract and that soyasaponin aglycones or soyasapogenols are absorbed faster and in greater amounts than the corresponding soyasaponins. Therefore, it is important to understand the bioavailability of these compounds for the potential development [...] Read more.

Research suggests that soyasaponins are poorly absorbed in the GI tract and that soyasaponin aglycones or soyasapogenols are absorbed faster and in greater amounts than the corresponding soyasaponins. Therefore, it is important to understand the bioavailability of these compounds for the potential development of functional foods containing their components. In this paper, to investigate the metabolic characteristics of soyasapogenols A and B, the pharmacokinetic parameters in rats were determined via oral and intravenous administration. The liver metabolites of soyasapogenols were identified using UPLC–/Q-TOF–MS/MS, and their metabolic pathways were also speculated. The results show that, after oral administration, there was a bimodal phenomenon in the absorption process. T_max was about 2 h, and soyasapogenol was completely metabolized 24 h later. The bioavailability of soyasapogenol was superior, reaching more than 60%. There were sixteen metabolites of soyasapogenol A and fifteen metabolites of soyasapogenol B detected in rat bile. Both phase I and II metabolic transformation types of soyasapogenols, including oxidation, dehydrogenation, hydrolysis, dehydration, deoxidization, phosphorylation, sulfation, glucoaldehyde acidification, and conjugation with cysteine, were identified. In addition, soyasapogenol A could be converted into soyasapogenols B and E in the metabolic process. These results suggest that it is feasible to use soyasapogenols as functional ingredients in nutraceuticals or food formulations. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Graphical abstract

15 pages, 3434 KiB

Open AccessArticle

Extraction, Purification, and Elucidation of Six Ginkgol Homologs from Ginkgo biloba Sarcotesta and Evaluation of Their Anticancer Activities

by Fengnan Li, Isaac Duah Boateng, Xiaoming Yang and Yuanyuan Li

Molecules 2022, 27(22), 7777; https://doi.org/10.3390/molecules27227777 - 11 Nov 2022

Cited by 9 | Viewed by 2356

Abstract

Ginkgols are active constituents from Ginkgo biloba L. (GB) and have pharmacological activities, such as antibacterial and antioxidant activities. In our previous report, only five ginkgols were separated. However, ginkgol C17:1 had two isomers, for which their separation, identification, and bioactivities have not [...] Read more.

Ginkgols are active constituents from Ginkgo biloba L. (GB) and have pharmacological activities, such as antibacterial and antioxidant activities. In our previous report, only five ginkgols were separated. However, ginkgol C17:1 had two isomers, for which their separation, identification, and bioactivities have not yet been investigated. Hence, this research reports the successful isolation of six ginkgol homologs with alkyl substituents—C17:1-Δ¹², C15:1-Δ⁸, C13:0, C17:2, C17:1-Δ¹⁰, and C15:0—for the first time using HPLC. This was followed by the identification of their chemical structures using Fourier transform infrared (FTIR), ultraviolet (UV), gas chromatography and mass spectrometry (GC-MS), carbon-13 nuclear magnetic resonance (¹³C-NMR), and proton nuclear magnetic resonance (¹H-NMR) analysis. The results showed that two ginkgol isomers, C17:1-Δ¹² and C17:1-Δ¹⁰, were obtained simultaneously from the ginkgol C17:1 mixture and identified entirely for the first time. That aside, the 3-(4,5-dimethyl-2-thiazolyl)-2,5-diphenyl-2-H-tetrazolium bromide (MTT) assay showed that the six ginkgol homologs possessed significant antiproliferation effects against HGC and HepG2 cells. Furthermore, the ginkgols with unsaturated side chains (C17:2, C15:1-Δ⁸, C17:1-Δ¹², and C17:1-Δ¹⁰) exhibited more potent inhibitory effects than ginkgols with saturated side chains (C13:0, C15:0). In addition, unsaturated ginkgol C15:1-Δ⁸ showed the most potent cytotoxicity on HepG2 and HGC cells, of which the half-maximal inhibition concentrations (IC₅₀) were 18.84 ± 2.58 and 13.15 ± 2.91 μM, respectively. The IC₅₀ for HepG2 and HGC cells for the three unsaturated ginkgols (C17:1-Δ¹⁰, C17:2 and C17:1-Δ¹²) were ~59.97, ~60.82, and ~68.97 μM for HepG2 and ~30.97, ~33.81, and ~34.55 μM for HGC cells, respectively. Comparing the ginkgols’ structure–activity relations, the findings revealed that the position and number of the double bonds of the ginkgols with 17 side chain carbons in length had no significant difference in anticancer activity. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Figure 1

11 pages, 1717 KiB

Open AccessArticle

VH-4-A Bioactive Peptide from Soybean and Exercise Training Constrict Hypertension in Rats through Activating Cell Survival and AMPKα1, Sirt1, PGC1α, and FoX3α

by Rathinasamy Baskaran, Balamuralikrishnan Balasubramanian, Jou-Hsuan Ho, Ming-Fu Wang, Mosleh Mohammad Abomughaid, Hong-Siang Yang and Wan-Teng Lin

Molecules 2022, 27(22), 7705; https://doi.org/10.3390/molecules27227705 - 9 Nov 2022

Cited by 7 | Viewed by 2171

Abstract

Hypertension is a chronic disease related to age, which affects tens of millions of people around the world. It is an important risk factor that causes myocardial infarction, heart failure, stroke, and kidney damage. Bioactive peptide VHVV (VH-4) from soybean has shown several [...] Read more.

Hypertension is a chronic disease related to age, which affects tens of millions of people around the world. It is an important risk factor that causes myocardial infarction, heart failure, stroke, and kidney damage. Bioactive peptide VHVV (VH-4) from soybean has shown several biological activities. Physical exercise is a cornerstone of non-pharmacologic treatment for hypertension and has established itself as an effective and complementary strategy for managing hypertension. The present study evaluates the efficacy of VH-4 supplement and swimming exercise training in preventing hypertension in spontaneously hypertensive rats (SHR). SHR animals were treated with VH-4 (25 mg/kg by intraperitoneal administration) and swimming exercise (1 h daily) for eight weeks, and the hemodynamic parameters, histology, and cell survival pathway protein expression were examined. In SHR rats, increased heart weight, blood pressure, and histological aberrations were observed. Cell survival protein p-PI3K and p-AKT and antiapoptosis proteins Bcl2 and Bcl-XL expression decreased in SHR animals. SIRT1 and FOXO3 were decreased in hypertensive rats. Both bioactive peptide VH-4 treatment and swimming exercise training in hypertensive rats increased the cell survival proteins p-PI3K and p-AKT and AMPKα1, Sirt1, PGC1α, and FoX3α proteins. Soy peptide VH-4, along with exercise, acts synergistically and prevents hypertension by activating cell survival and AMPKα1, Sirt1, PGC1α, and FoX3α proteins. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Figure 1

18 pages, 3928 KiB

Open AccessArticle

Dark Sweet Cherry (Prunus avium) Anthocyanins Suppressed ERK1/2-Akt/mTOR Cell Signaling and Oxidative Stress: Implications for TNBC Growth and Invasion

by Ana Carolina Silveira Rabelo, Susanne U. Mertens-Talcott, Boon P. Chew and Giuliana Noratto

Molecules 2022, 27(21), 7245; https://doi.org/10.3390/molecules27217245 - 25 Oct 2022

Cited by 4 | Viewed by 2419

Abstract

This study aimed to assess dark sweet cherry (DSC) total polyphenols (WE) and anthocyanins (ACN) against metastatic breast cancer (BC). The WE and ACN anticancer activity and underlying mechanisms were assessed in vitro using 4T1 BC cells. A pilot study using a BALB/C [...] Read more.

This study aimed to assess dark sweet cherry (DSC) total polyphenols (WE) and anthocyanins (ACN) against metastatic breast cancer (BC). The WE and ACN anticancer activity and underlying mechanisms were assessed in vitro using 4T1 BC cells. A pilot study using a BALB/C mouse syngeneic model bearing 4T1 tumors assessed the anti-metastatic potential of ACN in vivo. ACN inhibited cell viability with higher potency than WE and reduced reactive oxygen species (ROS) (IC₅₀ = 58.6 µg cyanidin 3-glucoside equivalent (C3G)/mL or 122 µM). ACN induced p38 stress-related intrinsic apoptosis, leading to caspase-3 cleavage and total PARP decrease. ACN suppressed ERK1/2 and Akt/mTOR signaling pathways, which are abnormally activated in BC and promote motility and invasion. This was consistent with suppression of VCAM-1 mRNA, Scr phosphorylation and 88.6% reduction of cells migrating to wounded area. The pilot in vivo results supported the ACN-mediated suppression of angiogenesis in tumors and lungs. ACN also lowered Cenpf mRNA in lungs, associated with lung metastasis lesions and poor survival. Results demonstrated the dual Akt-ERK inhibitory role of ACN and suppression of their downstream pro-invasive targets. These results encourage a larger scale in vivo study to confirm that ACN may help to fight BC invasion and metastasis. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Graphical abstract

12 pages, 3777 KiB

Open AccessArticle

Identification of Natural Compounds as Inhibitors of Pyruvate Kinase M2 for Cancer Treatment

by Iqra Sarfraz, Azhar Rasul, Farhat Jabeen, Tayyaba Sultana and Şevki Adem

Molecules 2022, 27(20), 7113; https://doi.org/10.3390/molecules27207113 - 21 Oct 2022

Cited by 5 | Viewed by 3215

Abstract

The reliance of tumor cells on aerobic glycolysis is one of the emerging hallmarks of cancer. Pyruvate kinase M2 (PKM2), an important enzyme of glycolytic pathway, is highly expressed in a number of cancer cells. Tumor cells heavily depend on PKM2 to fulfill [...] Read more.

The reliance of tumor cells on aerobic glycolysis is one of the emerging hallmarks of cancer. Pyruvate kinase M2 (PKM2), an important enzyme of glycolytic pathway, is highly expressed in a number of cancer cells. Tumor cells heavily depend on PKM2 to fulfill their divergent energetic and biosynthetic requirements, suggesting it as novel drug target for cancer therapies. Based on this context, we performed enzymatic-assay-based screening of the in-house phenolic compounds library for the identification of PKM2 inhibitors. This screening identified silibinin, curcumin, resveratrol, and ellagic acid as potential inhibitors of PKM2 with IC₅₀ values of 0.91 µM, 1.12 µM, 3.07 µM, and 4.20 µM respectively. For the determination of Ki constants and the inhibition type of hit compounds, Lineweaver–Burk graphs were plotted. Silibinin and ellagic acid performed the competitive inhibition of PKM2 with Ki constants of 0.61 µM and 5.06 µM, while curcumin and resveratrol were identified as non-competitive inhibitors of PKM2 with Ki constants of 1.20 µM and 7.34 µM. The in silico screening of phenolic compounds against three binding sites of PKM2 provided insight into the binding pattern and functionally important amino residues of PKM2. Further, the evaluation of cytotoxicity via MTT assay demonstrated ellagic acid as potent inhibitor of cancer cell growth (IC₅₀ = 20 µM). These results present ellagic acid, silibinin, curcumin, and resveratrol as inhibitors of PKM2 to interrogate metabolic reprogramming in cancer cells. This study has also provided the foundation for further research to validate the potential of identified bioactive entities for PKM2 targeted-cancer therapies. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Figure 1

19 pages, 6000 KiB

Open AccessArticle

Derivation, Functionalization of (S)-Goniothalamin from Goniothalamus wightii and Their Derivative Targets SARS-CoV-2 M^Pro, S^Pro, and RdRp: A Pharmacological Perspective

by Vino Palani, Santhosh Chinnaraj, Murugesh Shanmugasundaram, Arunkumar Malaisamy, Viji Maluventhen, Vijaya Anand Arumugam, Kannan R. R. Rengasamy, Balamuralikrishnan Balasubramanian, Wen-Chao Liu and Maruthupandian Arumugam

Molecules 2022, 27(20), 6962; https://doi.org/10.3390/molecules27206962 - 17 Oct 2022

Cited by 1 | Viewed by 2130

Abstract

The tracing of an alternative drug, Phytochemicals is a promising approach to the viral threats that have emerged over the past two years. Across the world, herbal medicine is a better solution against anti-viral diseases during pandemic periods. Goniothalamus wightii is an herbal [...] Read more.

The tracing of an alternative drug, Phytochemicals is a promising approach to the viral threats that have emerged over the past two years. Across the world, herbal medicine is a better solution against anti-viral diseases during pandemic periods. Goniothalamus wightii is an herbal plant, which has diverse bioactive compounds with anticancer, antioxidant, and anti-viral properties. The aim of the study was to isolate the compound by chromatography studies and functionalization by FT-IR, LC-MS, and NMR (C-NMR, H-NMR). As a result, the current work focuses on whether (S)-Goniathalamin and its analogue could act as natural anti-viral molecules for multiple target proteins viz., M^Pro, RdRp, and S^Pro, which are required for SARS-CoV-2 infection. Overall, 954 compounds were examined and the molecular-docking studies were performed on the maestro platform of Schrodinger software. Molecular-dynamics simulation studies were performed on two complex major compounds to confirm their affinity across 150 simulations. This research suggests that plant-based drugs have high levels of antiviral properties against coronavirus. However, more research is needed to verify its antiviral properties. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Figure 1

28 pages, 7840 KiB

Open AccessArticle

Isolation of Phenolic Compounds from Raspberry Based on Molecular Imprinting Techniques and Investigation of Their Anti-Alzheimer’s Disease Properties

by Qian Wu, Abid Naeem, Jiamei Zou, Chengqun Yu, Yingjie Wang, Jingbin Chen and Yuhui Ping

Molecules 2022, 27(20), 6893; https://doi.org/10.3390/molecules27206893 - 14 Oct 2022

Cited by 14 | Viewed by 2437

Abstract

Alzheimer’s disease is the most common neurodegenerative disease, characterized by memory loss and cognitive dysfunction. Raspberry fruits contain polyphenols which have antioxidant and anti-inflammatory properties. In this study, we used molecular imprinting technology to efficiently isolate phenolic components from the raspberry ethyl acetate [...] Read more.

Alzheimer’s disease is the most common neurodegenerative disease, characterized by memory loss and cognitive dysfunction. Raspberry fruits contain polyphenols which have antioxidant and anti-inflammatory properties. In this study, we used molecular imprinting technology to efficiently isolate phenolic components from the raspberry ethyl acetate extracts. Six phenolic components (ellagic acid, tiliroside, kaempferol-3-o-rutoside, gallic acid, ferulic acid and vanillic acid) were identified by UPLC-Q-TOF-MS analysis. Molecular docking was used to predict the anti-inflammatory effects and anti-Alzheimer’s potential of these isolated compounds, which showed a good binding ability to diseases and related proteins. However, the binding energy and docking fraction of ellagic acid, tiliroside, and kaempferol-3-o-rutoside were better than those of gallic acid, ferulic acid and vanillic acid. Additionally, by studying the effects of these six phenolic components on the LPS-induced secretion of inflammatory mediators in murine microglial (BV2) cells, it was further demonstrated that they were all capable of inhibiting the secretion of NO, IL-6, TNF-α, and IL-1β to a certain extent. However, ellagic acid, tiliroside, and kaempferol-3-o-rutoside have better inhibitory effects compared to others. The results obtained suggest that the phenolic components extracted from ethyl acetate extracts of raspberry by molecularly imprinted polymers have the potential to inhibit the progression of Alzheimer’s disease. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Figure 1

23 pages, 9290 KiB

Open AccessArticle

Anti-Inflammatory and Anti-Rheumatic Potential of Selective Plant Compounds by Targeting TLR-4/AP-1 Signaling: A Comprehensive Molecular Docking and Simulation Approaches

by Ashrafullah Khan, Shafi Ullah Khan, Adnan Khan, Bushra Shal, Sabih Ur Rehman, Shaheed Ur Rehman, Thet Thet Htar, Salman Khan, Sirajudheen Anwar, Ahmed Alafnan and Kannan RR Rengasamy

Molecules 2022, 27(13), 4319; https://doi.org/10.3390/molecules27134319 - 5 Jul 2022

Cited by 14 | Viewed by 4084

Abstract

Plants are an important source of drug development and numerous plant derived molecules have been used in clinical practice for the ailment of various diseases. The Toll-like receptor-4 (TLR-4) signaling pathway plays a crucial role in inflammation including rheumatoid arthritis. The TLR-4 binds [...] Read more.

Plants are an important source of drug development and numerous plant derived molecules have been used in clinical practice for the ailment of various diseases. The Toll-like receptor-4 (TLR-4) signaling pathway plays a crucial role in inflammation including rheumatoid arthritis. The TLR-4 binds with pro-inflammatory ligands such as lipopolysaccharide (LPS) to induce the downstream signaling mechanism such as nuclear factor κappa B (NF-κB) and mitogen activated protein kinases (MAPKs). This signaling activation leads to the onset of various diseases including inflammation. In the present study, 22 natural compounds were studied against TLR-4/AP-1 signaling, which is implicated in the inflammatory process using a computational approach. These compounds belong to various classes such as methylxanthine, sesquiterpene lactone, alkaloid, flavone glycosides, lignan, phenolic acid, etc. The compounds exhibited different binding affinities with the TLR-4, JNK, NF-κB, and AP-1 protein due to the formation of multiple hydrophilic and hydrophobic interactions. With TLR-4, rutin had the highest binding energy (−10.4 kcal/mol), poncirin had the highest binding energy (−9.4 kcal/mol) with NF-κB and JNK (−9.5 kcal/mol), respectively, and icariin had the highest binding affinity (−9.1 kcal/mol) with the AP-1 protein. The root means square deviation (RMSD), root mean square fraction (RMSF), and radius of gyration (RoG) for 150 ns were calculated using molecular dynamic simulation (MD simulation) based on rutin’s greatest binding energy with TLR-4. The RMSD, RMSF, and RoG were all within acceptable limits in the MD simulation, and the complex remained stable for 150 ns. Furthermore, these compounds were assessed for the potential toxic effect on various organs such as the liver, heart, genotoxicity, and oral maximum toxic dose. Moreover, the blood–brain barrier permeability and intestinal absorption were also predicted using SwissADME software (Lausanne, Switzerland). These compounds exhibited promising physico-chemical as well as drug-likeness properties. Consequently, these selected compounds portray promising anti-inflammatory and drug-likeness properties. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Figure 1

Review

Jump to: Research

28 pages, 2033 KiB

Open AccessReview

Health Benefits of Consuming Foods with Bacterial Probiotics, Postbiotics, and Their Metabolites: A Review

by Victor E. Vera-Santander, Ricardo H. Hernández-Figueroa, María T. Jiménez-Munguía, Emma Mani-López and Aurelio López-Malo

Molecules 2023, 28(3), 1230; https://doi.org/10.3390/molecules28031230 - 27 Jan 2023

Cited by 49 | Viewed by 11220

Abstract

Over the years, probiotics have been extensively studied within the medical, pharmaceutical, and food fields, as it has been revealed that these microorganisms can provide health benefits from their consumption. Bacterial probiotics comprise species derived from lactic acid bacteria (LAB) (genus Lactobacillus, [...] Read more.

Over the years, probiotics have been extensively studied within the medical, pharmaceutical, and food fields, as it has been revealed that these microorganisms can provide health benefits from their consumption. Bacterial probiotics comprise species derived from lactic acid bacteria (LAB) (genus Lactobacillus, Leuconostoc, and Streptococcus), the genus Bifidobacterium, and strains of Bacillus and Escherichia coli, among others. The consumption of probiotic products is increasing due to the current situation derived from the pandemic caused by COVID-19. Foods with bacterial probiotics and postbiotics are premised on being healthier than those not incorporated with them. This review aims to present a bibliographic compilation related to the incorporation of bacterial probiotics in food and to demonstrate through in vitro and in vivo studies or clinical trials the health benefits obtained with their metabolites and the consumption of foods with bacterial probiotics/postbiotics. The health benefits that have been reported include effects on the digestive tract, metabolism, antioxidant, anti-inflammatory, anticancer, and psychobiotic properties, among others. Therefore, developing food products with bacterial probiotics and postbiotics is a great opportunity for research in food science, medicine, and nutrition, as well as in the food industry. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Figure 1

24 pages, 1817 KiB

Open AccessReview

Microgreens—A Comprehensive Review of Bioactive Molecules and Health Benefits

by Maharshi Bhaswant, Dilip Kumar Shanmugam, Taiki Miyazawa, Chizumi Abe and Teruo Miyazawa

Molecules 2023, 28(2), 867; https://doi.org/10.3390/molecules28020867 - 15 Jan 2023

Cited by 43 | Viewed by 12496

Abstract

Microgreens, a hypothesized term used for the emerging food product that is developed from various commercial food crops, such as vegetables, grains, and herbs, consist of developed cotyledons along with partially expanded true leaves. These immature plants are harvested between 7–21 days (depending [...] Read more.

Microgreens, a hypothesized term used for the emerging food product that is developed from various commercial food crops, such as vegetables, grains, and herbs, consist of developed cotyledons along with partially expanded true leaves. These immature plants are harvested between 7–21 days (depending on variety). They are treasured for their densely packed nutrients, concentrated flavors, immaculate and tender texture as well as for their vibrant colors. In recent years, microgreens are on demand from high-end restaurant chefs and nutritional researchers due to their potent flavors, appealing sensory qualities, functionality, abundance in vitamins, minerals, and other bioactive compounds, such as ascorbic acid, tocopherol, carotenoids, folate, tocotrienols, phylloquinones, anthocyanins, glucosinolates, etc. These qualities attracted research attention for use in the field of human health and nutrition. Increasing public concern regarding health has prompted humans to turn to microgreens which show potential in the prevention of malnutrition, inflammation, and other chronic ailments. This article focuses on the applications of microgreens in the prevention of the non-communicable diseases that prevails in the current generation, which emerged due to sedentary lifestyles, thus laying a theoretical foundation for the people creating awareness to switch to the recently introduced category of vegetable and providing great value for the development of health-promoting diets with microgreens. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Figure 1

23 pages, 1726 KiB

Open AccessReview

Natural Polyphenols for Treatment of Colorectal Cancer

by Yiwen Zhang, Kunjian Liu, Chengqiu Yan, Yu Yin, Shuangyan He, Li Qiu and Guofeng Li

Molecules 2022, 27(24), 8810; https://doi.org/10.3390/molecules27248810 - 12 Dec 2022

Cited by 18 | Viewed by 3239

Abstract

Colorectal cancer (CRC) is a prevalent and serious gastrointestinal malignancy with high mortality and morbidity. Chemoprevention refers to a newly emerged strategy that uses drugs with chemopreventive properties to promote antioxidation, regulate cancer cell cycle, suppress proliferation, and induce cellular apoptosis, so as [...] Read more.

Colorectal cancer (CRC) is a prevalent and serious gastrointestinal malignancy with high mortality and morbidity. Chemoprevention refers to a newly emerged strategy that uses drugs with chemopreventive properties to promote antioxidation, regulate cancer cell cycle, suppress proliferation, and induce cellular apoptosis, so as to improve cancer treatment outcomes. Natural polyphenols are currently recognized as a class of chemopreventive agents that have shown remarkable anticarcinogenic properties. Numerous in vitro and in vivo studies have elucidated the anti-CRC mechanisms of natural polyphenols, such as regulation of various molecular and signaling pathways. Natural polyphenols are also reportedly capable of modulating the gut microbiota and cancer stem cells (CSCs) to suppress tumor formation and progression. Combined use of different natural polyphenols is recommended due to their low bioavailability and instability, and combination treatment can exert synergistical effects, reduce side effects, and avoid drug resistance in CRC treatment. In summary, the application of polyphenols in the chemoprevention and treatment of CRC is promising. Further clinical evaluation of their effectiveness is warranted and anticipated. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Graphical abstract

64 pages, 5243 KiB

Open AccessReview

Natural Products as Anticancer Agents: Current Status and Future Perspectives

by Abid Naeem, Pengyi Hu, Ming Yang, Jing Zhang, Yali Liu, Weifeng Zhu and Qin Zheng

Molecules 2022, 27(23), 8367; https://doi.org/10.3390/molecules27238367 - 30 Nov 2022

Cited by 138 | Viewed by 17943

Abstract

Natural products have been an invaluable and useful source of anticancer agents over the years. Several compounds have been synthesized from natural products by modifying their structures or by using naturally occurring compounds as building blocks in the synthesis of these compounds for [...] Read more.

Natural products have been an invaluable and useful source of anticancer agents over the years. Several compounds have been synthesized from natural products by modifying their structures or by using naturally occurring compounds as building blocks in the synthesis of these compounds for various purposes in different fields, such as biology, medicine, and engineering. Multiple modern and costly treatments have been applied to combat cancer and limit its lethality, but the results are not significantly refreshing. Natural products, which are a significant source of new therapeutic drugs, are currently being investigated as potential cytotoxic agents and have shown a positive trend in preclinical research and have prompted numerous innovative strategies in order to combat cancer and expedite the clinical research. Natural products are becoming increasingly important for drug discovery due to their high molecular diversity and novel biofunctionality. Furthermore, natural products can provide superior efficacy and safety due to their unique molecular properties. The objective of the current review is to provide an overview of the emergence of natural products for the treatment and prevention of cancer, such as chemosensitizers, immunotherapeutics, combinatorial therapies with other anticancer drugs, novel formulations of natural products, and the molecular mechanisms underlying their anticancer properties. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Graphical abstract

52 pages, 25279 KiB

Open AccessReview

Pestalotiopsis Diversity: Species, Dispositions, Secondary Metabolites, and Bioactivities

by Chu Wu, Yun Wang and Yujie Yang

Molecules 2022, 27(22), 8088; https://doi.org/10.3390/molecules27228088 - 21 Nov 2022

Cited by 8 | Viewed by 3461

Abstract

Pestalotiopsis species have gained attention thanks to their structurally complex and biologically active secondary metabolites. In past decades, several new secondary metabolites were isolated and identified. Their bioactivities were tested, including anticancer, antifungal, antibacterial, and nematicidal activity. Since the previous review published in [...] Read more.

Pestalotiopsis species have gained attention thanks to their structurally complex and biologically active secondary metabolites. In past decades, several new secondary metabolites were isolated and identified. Their bioactivities were tested, including anticancer, antifungal, antibacterial, and nematicidal activity. Since the previous review published in 2014, new secondary metabolites were isolated and identified from Pestalotiopsis species and unidentified strains. This review gathered published articles from 2014 to 2021 and focused on 239 new secondary metabolites and their bioactivities. To date, 384 Pestalotiopsis species have been discovered in diverse ecological habitats, with the majority of them unstudied. Some may contain secondary metabolites with unique bioactivities that might benefit pharmacology. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Figure 1

18 pages, 1179 KiB

Open AccessReview

Chinese Cordyceps: Bioactive Components, Antitumor Effects and Underlying Mechanism—A Review

by Yan Liu, Zhi-Jian Guo and Xuan-Wei Zhou

Molecules 2022, 27(19), 6576; https://doi.org/10.3390/molecules27196576 - 4 Oct 2022

Cited by 25 | Viewed by 6542

Abstract

Chinese Cordyceps is a valuable source of natural products with various therapeutic effects. It is rich in various active components, of which adenosine, cordycepin and polysaccharides have been confirmed with significant immunomodulatory and antitumor functions. However, the underlying antitumor mechanism remains poorly understood. [...] Read more.

Chinese Cordyceps is a valuable source of natural products with various therapeutic effects. It is rich in various active components, of which adenosine, cordycepin and polysaccharides have been confirmed with significant immunomodulatory and antitumor functions. However, the underlying antitumor mechanism remains poorly understood. In this review, we summarized and analyzed the chemical characteristics of the main components and their pharmacological effects and mechanism on immunomodulatory and antitumor functions. The analysis revealed that Chinese Cordyceps promotes immune cells’ antitumor function by via upregulating immune responses and downregulating immunosuppression in the tumor microenvironment and resetting the immune cells’ phenotype. Moreover, Chinese Cordyceps can inhibit the growth and metastasis of tumor cells by death (including apoptosis and autophagy) induction, cell-cycle arrest, and angiogenesis inhibition. Recent evidence has revealed that the signal pathways of mitogen-activated protein kinases (MAPKs), nuclear factor kappaB (NF-κB), cysteine–aspartic proteases (caspases) and serine/threonine kinase Akt were involved in the antitumor mechanisms. In conclusion, Chinese Cordyceps, one type of magic mushroom, can be potentially developed as immunomodulator and anticancer therapeutic agents. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Figure 1

16 pages, 1845 KiB

Open AccessReview

Phytochemical Compounds and Pharmacological Properties of Larrea tridentata

by Ana Lizet Morales-Ubaldo, Nallely Rivero-Perez, Benjamín Valladares-Carranza, Alfredo Madariaga-Navarrete, Rosa Isabel Higuera-Piedrahita, Lucía Delgadillo-Ruiz, Rómulo Bañuelos-Valenzuela and Adrian Zaragoza-Bastida

Molecules 2022, 27(17), 5393; https://doi.org/10.3390/molecules27175393 - 24 Aug 2022

Cited by 4 | Viewed by 3391

Abstract

For centuries, traditional medicine from plants (phytotherapy) was the only treatment for infectious and non-infectious diseases. Although it is still practiced in several countries with excellent therapeutic results, it is frequently underestimated because, unlike Western medicine, it is not based on an empirical [...] Read more.

For centuries, traditional medicine from plants (phytotherapy) was the only treatment for infectious and non-infectious diseases. Although it is still practiced in several countries with excellent therapeutic results, it is frequently underestimated because, unlike Western medicine, it is not based on an empirical scientific foundation. However, interest in the search for plant-based therapeutic resources has been stimulated by disciplines such as phytochemistry and the side effects of conventional pharmacological therapies. For example, Larrea tridentata is a perennial shrub used in traditional medicine in northern Mexico and the southern United States to treat infertility, rheumatism, arthritis, colds, diarrhea, skin problems, pain, inflammation and excess body weight. Scientific research has revealed its beneficial effects—antioxidant, antitumor, neuroprotective, regenerative, antibacterial, antiviral, antifungal, anthelmintic, antiprotozoal and insecticidal—although reports indicate that some compounds in Larrea tridentata may be hepatotoxic and nephrotoxic. Therefore, the aim of this review was to highlight the updates regarding phytochemical compounds and the pharmacological properties of Larrea tridentata. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

► Show Figures

Graphical abstract

Journal Menu

Journal Browser

Bioactive Compounds in Food Bioscience and Pharmacology

Share This Special Issue

Special Issue Editors

Special Issue Information

Keywords

Benefits of Publishing in a Special Issue

Published Papers (20 papers)

Research

Review

Further Information

Guidelines

MDPI Initiatives

Follow MDPI