Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases

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31 May 2025

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31 July 2025

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Topic Information

Dear Colleagues,

Drugs play a pivotal role in improving people’s health and quality of life and, subsequently, in the development of society. Currently, however, the development of synthetic drugs is becoming increasingly more difficult because of development costs, cycle prolongation, a sharp decline in success rates, and increasingly more serious environmental pollution. Therefore, the search for lead compounds to develop novel drugs is regarded as a lifeline by major pharmaceutical companies. Many secondary metabolites with novel different structures have been synthesized in organisms during their long evolutionary process. The chemical difference in these organisms allows not only various bioactivities but also the development of a de novo mechanism. They are thus an indispensable source for new drug research and development in efforts to discover novel lead compounds from the millions of plants, animals, microorganisms, and marine organisms that exist in nature. The main goal of this Topic is to publish novel compounds with excellent bioactivities from plants and microorganisms. Compounds from animals or marine organisms are also welcomed. We hope this Topic will provide readers with a selection of papers that represent the current state of knowledge on the discovery of novel compounds.

Dr. Jun Dang
Dr. Tengfei Ji
Dr. Xinxin Zhang
Topic Editors

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Journal Name	Impact Factor	CiteScore	Launched Year	First Decision (median)	APC
Analytica analytica	-	1.8	2020	12.8 Days	CHF 1000	Submit
Antioxidants antioxidants	6.0	10.6	2012	15.5 Days	CHF 2900	Submit
Biomedicines biomedicines	3.9	5.2	2013	15.3 Days	CHF 2600	Submit
Nutrients nutrients	4.8	9.2	2009	17.5 Days	CHF 2900	Submit
Separations separations	2.5	3.0	2014	12.4 Days	CHF 2600	Submit
Molecules molecules	4.2	7.4	1996	15.1 Days	CHF 2700	Submit

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Published Papers (23 papers)

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13 pages, 2597 KiB  

Open AccessArticle

Chemical Characterization and Biological Activity of Varronia curassavica Jacq. Essential Oil (Boraginaceae) and In Silico Testing of α-Pinene

by José Thyálisson da Costa Silva, Viviane Bezerra da Silva, Sabrina Bezerra da Silva, Maria Ivaneide Rocha, Adrielle Rodrigues Costa, Jailson Renato de Lima Silva, Marcos Aurélio Figueirêdo dos Santos, Maria Elizete Machado Generino, Jeovane Henrique de Souza, Maraiza Gregorio de Oliveira, Clara Mariana Gonçalves Lima, Raimundo Luiz Silva Pereira, Renata Ferreira Santana, Isaac Moura Araujo, Maria Flaviana Bezerra Morais-Braga, Talha Bin Emran, Henrique Douglas Melo Coutinho and José Weverton Almeida-Bezerra

Analytica 2024, 5(4), 499-511; https://doi.org/10.3390/analytica5040034 - 3 Oct 2024

Viewed by 825

Abstract

Multidrug-resistant bacteria have complicated the treatment of gastrointestinal diseases; their microbial resistance stems from the indiscriminate use of medications and the transfer of resistance genes. Varronia curassavica Jacq., a plant traditionally used to treat rheumatic and gastrointestinal diseases in underserved populations, has sparked [...] Read more.

Multidrug-resistant bacteria have complicated the treatment of gastrointestinal diseases; their microbial resistance stems from the indiscriminate use of medications and the transfer of resistance genes. Varronia curassavica Jacq., a plant traditionally used to treat rheumatic and gastrointestinal diseases in underserved populations, has sparked interest as a potential source of antimicrobial compounds. This study aimed to investigate the chemical composition and antibacterial effects of V. curassavica essential oil and to evaluate its toxicity in Drosophila melanogaster. The essential oil was extracted through hydrodistillation and its chemical composition was determined using GC-MS. Antibacterial tests were performed with microdilution. The results showed the presence of major compounds including α-pinene and β-caryophyllene. The essential oil did not show relevant MIC, but it enhanced the effects of the antibiotics, gentamicin, norfloxacin, and oxacillin. It exhibited no toxicity and did not affect geotaxis, even at high concentrations. The in silico analysis of α-pinene revealed low toxicity; however, its permeability to the BBB shows that caution is needed in its application. These results indicate that the essential oil of V. curassavica shows promising potential in enhancing pharmaceuticals to prevent increased bacterial resistance. In addition, it demonstrated safe aspects when tested on D. melanogaster. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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11 pages, 2331 KiB  

Open AccessArticle

ADME/Tox Study, Phytochemical Analysis and In Vitro Antifungal Activity of Essential Oil from Varronia curassavica Jacq. (Boraginaceae)

by José Thyálisson da Costa Silva, Saulo Almeida Menezes, Viviane Bezerra da Silva, Maria Hellena Garcia Novais, Emílio Sousa Albuquerque, Rafael Albuquerque Franco, Naiza Saraiva Farias, Nathallia Correia da Silva, Dieferson Leandro de Souza, Elaine Cristina Conceição de Oliveira, Damiana Gonçalves de Sousa Freitas, Clara Mariana Gonçalves Lima, Severino Denicio Gonçalves de Sousa, Maria Flaviana Bezerra Morais Braga, Henrique Douglas Melo Coutinho and José Weverton Almeida-Bezerra

Analytica 2024, 5(3), 440-450; https://doi.org/10.3390/analytica5030029 - 5 Sep 2024

Viewed by 888

Abstract

Varronia curassavica Jacq. is an aromatic species appertaining to the Boraginaceae family and has been mentioned for its numerous traditional uses and pharmacological properties, especially its antimicrobial and anti-inflammatory effects. The aim of the present study was to investigate the phytochemical profile and [...] Read more.

Varronia curassavica Jacq. is an aromatic species appertaining to the Boraginaceae family and has been mentioned for its numerous traditional uses and pharmacological properties, especially its antimicrobial and anti-inflammatory effects. The aim of the present study was to investigate the phytochemical profile and antifungal activities of the essential oils of V. curassavica, in addition to analyzing the ADMET properties of the majority components. The GC-MS analysis of V. curassavica essential oil (EOVC) comprised 97.36% of total composition, with α-pinene, β-caryophyllene, and bicyclogermacrene (44.46%, 22.87%, and 13.05%, respectively) as the main constituents among other minor/trace constituents. The antifungal activity of EOVC was evaluated against three Candida species and was observed with IC₅₀ > 200 μg/mL. Remarkably, the combination of EOVC with fluconazole significantly reduced the IC₅₀ required for the drug to inhibit C. tropicalis (0.003 μg/mL), C. albicans (0.7996 μg/mL), and C. krusei (17.73 μg/mL). In addition, ADME/Tox studies using α-pinene revealed that the compound poses no toxicity threats but requires caution due to its high permeability to the blood–brain barrier (BBB). Overall, the obtained results suggest that Varronia curassavica essential oil is a potentially good antifungal agent for combating fungal resistance. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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25 pages, 29683 KiB  

Open AccessArticle

Identification and Validation of the miR/RAS/RUNX2 Autophagy Regulatory Network in AngII-Induced Hypertensive Nephropathy in MPC5 Cells Treated with Hydrogen Sulfide Donors

by Qing Ye, Mi Ren, Di Fan, Yicheng Mao and Yi-Zhun Zhu

Antioxidants 2024, 13(8), 958; https://doi.org/10.3390/antiox13080958 - 7 Aug 2024

Viewed by 879

Abstract

The balanced crosstalk between miRNAs and autophagy is essential in hypertensive nephropathy. Hydrogen sulfide donors have been reported to attenuate renal injury, but the mechanism is unclear. We aimed to identify and verify the miRNAs and autophagy regulatory networks in hypertensive nephropathy treated [...] Read more.

The balanced crosstalk between miRNAs and autophagy is essential in hypertensive nephropathy. Hydrogen sulfide donors have been reported to attenuate renal injury, but the mechanism is unclear. We aimed to identify and verify the miRNAs and autophagy regulatory networks in hypertensive nephropathy treated with hydrogen sulfide donors through bioinformatics analysis and experimental verification. From the miRNA dataset, autophagy was considerably enriched in mice kidney after angiotensin II (AngII) and combined hydrogen sulfide treatment (H₂S_AngII), among which there were 109 differentially expressed miRNAs (DEMs) and 21 hub ADEGs (autophagy-related differentially expressed genes) in the AngII group and 70 DEMs and 13 ADEGs in the H₂S_AngII group. A miRNA–mRNA–transcription factors (TFs) autophagy regulatory network was then constructed and verified in human hypertensive nephropathy samples and podocyte models. In the network, two DEMs (miR-98-5p, miR-669b-5p), some hub ADEGs (KRAS, NRAS), and one TF (RUNX2) were altered, accompanied by a reduction in autophagy flux. However, significant recovery occurred after treatment with endogenous or exogenous H₂S donors, as well as an overexpression of miR-98-5p and miR-669b-5p. The miR/RAS/RUNX2 autophagy network driven by H₂S donors was related to hypertensive nephropathy. H₂S donors or miRNAs increased autophagic flux and reduced renal cell injury, which could be a potentially effective medical therapy. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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17 pages, 3114 KiB  

Open AccessArticle

The Anti-Obesogenic Effects of Muscadine Grapes through Ciliary Neurotrophic Factor Receptor (Cntfr) and Histamine Receptor H1 (Hrh1) Genes in 3T3-L1 Differentiated Mouse Cells

by Samia S. Messeha, Meenakshi Agarwal, Sherif G. Gendy, Sheikh B. Mehboob and Karam F. A. Soliman

Nutrients 2024, 16(12), 1817; https://doi.org/10.3390/nu16121817 - 9 Jun 2024

Viewed by 1263

Abstract

Obesity and type 2 diabetes are prevalent metabolic diseases that have significant links to several chronic diseases, including cancer, diabetes, hypertension, and cardiovascular disease. Muscadine grape extracts have shown the potential to reduce adiposity and improve insulin sensitivity and glucose control. Thus, this [...] Read more.

Obesity and type 2 diabetes are prevalent metabolic diseases that have significant links to several chronic diseases, including cancer, diabetes, hypertension, and cardiovascular disease. Muscadine grape extracts have shown the potential to reduce adiposity and improve insulin sensitivity and glucose control. Thus, this study was designed to determine the potential of muscadine grape berries extract (Pineapple and Southern Home) for its antiobesity properties in 3T3-L1 cells as a model for obesity research. The current study’s data indicated the total phenolic content (TPC) and 2,2-diphenyl-1-picrylhydraziyl (DPPH) activity were higher in cultivar (CV) Southern Home, meanwhile, elevated the total flavonoid content (TFC) in Pineapple. Both extracts were safe across the tested range (0–5 mg/mL). A noticeable reduction in lipid accumulation was also found in extract-treated cells. In preadipocytes and adipocytes, the tested extracts showed significant alterations in various genes involved in glucose homeostasis and obesity. The most remarkable findings of the current study are the upregulation of two genes, Cntfr (+712.715-fold) and Hrh1 (+270.11-fold) in CV Pineapple extract-treated adipocytes 3T3-L1 and the high fold increase in Ramp3 induced by both Pineapple and Southern Home in pre-adipose cells. Furthermore, the tested extracts showed a potential to alter the mRNA of various genes, including Zfp91, B2m, Nr3c1, Insr, Atrn, Il6ra, Hsp90ab1, Sort1, and Npy1r. In conclusion, the data generated from the current study suggested that the two extracts under investigation are considered potential candidates for controlling insulin levels and managing obesity. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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12 pages, 2962 KiB  

Open AccessArticle

Ultrasonic Pretreatment Combined with Microwave-Assisted Hydrodistillation for Extraction of Essential Oil from Melaleuca bracteata ‘Revolution Gold’ Leaves Scales Induced by Cellulase-Inorganic Salt and Its Anti-Fungal Activity

by Yan Huang, Xiaonan Zhang, Fajian Zeng, Jinmei Chang and Zhiwei Liu

Separations 2024, 11(5), 147; https://doi.org/10.3390/separations11050147 - 9 May 2024

Viewed by 1292

Abstract

In order to further develop the commercial use of Melaleuca bracteata (F. Muell), this report studied the extraction of essential oil from Melaleuca bracteata (F. Muell) leaves using ultrasonic pretreatment, cellulase-inorganic salt soaked and combined with microwave-assisted hydrodistillation. To optimize the primary contributing [...] Read more.

In order to further develop the commercial use of Melaleuca bracteata (F. Muell), this report studied the extraction of essential oil from Melaleuca bracteata (F. Muell) leaves using ultrasonic pretreatment, cellulase-inorganic salt soaked and combined with microwave-assisted hydrodistillation. To optimize the primary contributing parameters, the Box–Behnken design (BBD) was applied. The optimum yield of essential oil was 9.61 mL/kg DW at a microwave power of 510.77 W, lithium chloride dose of 63.56 μmol, and microwave irradiation period of 46.97 min. The essential oil included a total of 41 compounds, and methyl eugenol (76.53%) and methyl cinnamate (12.62%) were the main compounds. The inhibitory impact was notable when the essential oil concentration was 1.6 mg/mL. Therefore, it has the potential to replace chemical pesticides. When the concentration of the essential oil solution was 1.6 mg/mL, the three pathogenic species of fungus (Pseudocercospora psidii, Colletotrichum eriobotryae, and Colletotrichum siamense) were greatly affected; at this dose, the fungus was unable to develop and its growth diameter was 0 mm. Additionally, the fungus’s inhibition rate reached 100%. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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21 pages, 20613 KiB  

Open AccessArticle

Norcantharidin Sensitizes Colorectal Cancer Cells to Radiotherapy via Reactive Oxygen Species–DRP1-Mediated Mitochondrial Damage

by Qiong Xu, Heng Zhang, Haoren Qin, Huaqing Wang and Hui Wang

Antioxidants 2024, 13(3), 347; https://doi.org/10.3390/antiox13030347 - 14 Mar 2024

Cited by 4 | Viewed by 1715

Abstract

Norcantharidin (NCTD), a cantharidin derivative, induces ROS generation and is widely used to treat CRC. In this study, we clarified the role and mechanism of action of norcantharidin in increasing CRC sensitivity to radiotherapy. We treated the CRC cell lines LoVo and DLD-1 [...] Read more.

Norcantharidin (NCTD), a cantharidin derivative, induces ROS generation and is widely used to treat CRC. In this study, we clarified the role and mechanism of action of norcantharidin in increasing CRC sensitivity to radiotherapy. We treated the CRC cell lines LoVo and DLD-1 with NCTD (10 or 50 μmol/L), ionizing radiation (IR, 6 Gy), and a combination of the two and found that NCTD significantly inhibited the proliferation of CRC cells and enhanced their sensitivity to radiotherapy. NCTD induced ROS generation by decreasing the mitochondrial membrane potential, increasing mitochondrial membrane permeability, and promoting cytochrome C release from mitochondria into the cytoplasm. IR combined with NCTD induced ROS production, which activated the mitochondrial fission protein DRP1, leading to increased mitochondrial fission and CRC sensitivity to radiotherapy. NCTD also reduced CRC cell resistance to radiotherapy by blocking the cell cycle at the G2/M phase and decreasing p-CHK2, cyclin B1, and p-CDC2 expression. NCTD and IR also inhibited radiation resistance by causing DNA damage. Our findings provide evidence for the potential therapeutic use of NCTD and IR against CRC. Moreover, this study elucidates whether NCTD can overcome CRC radiation tolerance and provides insights into the underlying mechanisms. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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17 pages, 2936 KiB  

Open AccessArticle

A Brain-Protective Sterol from Soft Coral Inhibits Lipopolysaccharide-Induced Matrix Metalloproteinase-9-Mediated Astrocytic Migration

by Tsong-Hai Lee, Jiun-Liang Chen, Chuan-Hsin Chang, Ming-Ming Tsai, Hui-Ching Tseng, Yu-Chia Chang, Velayuthaprabhu Shanmugam and Hsi-Lung Hsieh

Biomedicines 2024, 12(1), 226; https://doi.org/10.3390/biomedicines12010226 - 19 Jan 2024

Cited by 1 | Viewed by 1637

Abstract

Matrix metalloproteinases (MMPs), which are proteolytic enzymes, promote blood–brain barrier (BBB) disruption, leading to neuronal damage and neuroinflammation. Among them, MMP-9 upregulation serves as an inflammatory biomarker in the central nervous system (CNS). Currently, the development of marine organism-derived bioactive compounds or metabolites [...] Read more.

Matrix metalloproteinases (MMPs), which are proteolytic enzymes, promote blood–brain barrier (BBB) disruption, leading to neuronal damage and neuroinflammation. Among them, MMP-9 upregulation serves as an inflammatory biomarker in the central nervous system (CNS). Currently, the development of marine organism-derived bioactive compounds or metabolites as anti-inflammatory drugs has received considerable attention. The 9,11-secosteroid, 3β,11-dihydroxy-9,11-secogorgost-5-en-9-one (4p3f), is a novel sterol compound extracted from the soft coral Sinularia leptoclado with potential anti-inflammatory activity. However, the effect of and potential for brain protection of 4p3f on brain astrocytes remain unclear. Herein, we used rat brain astrocytes (RBAs) to investigate the effects and signaling mechanisms of 4p3f on lipopolysaccharide (LPS)-induced MMP-9 expression via zymographic, quantitative reverse transcription–polymerase chain reaction (qRT-PCR), Western blot, immunofluorescence staining, promoter–reporter, and cell migration analyses. We first found that 4p3f blocked LPS-induced MMP-9 expression in RBAs. Next, we demonstrated that LPS induced MMP-9 expression via the activation of ERK1/2, p38 MAPK, and JNK1/2, which is linked to the STAT3-mediated NF-κB signaling pathway. Finally, 4p3f effectively inhibited LPS-induced upregulation of MMP-9-triggered RBA cell migration. These data suggest that a novel sterol from soft coral, 4p3f, may have anti-inflammatory and brain-protective effects by attenuating these signaling pathways of MMP-9-mediated events in brain astrocytes. Accordingly, the soft coral-derived sterol 4p3f may emerge as a potential candidate for drug development or as a natural compound with neuroprotective properties. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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16 pages, 3932 KiB  

Open AccessArticle

Agaricus blazei Polysaccharide Alleviates DSS-Induced Colitis in Mice by Modulating Intestinal Barrier and Remodeling Metabolism

by Zhong-Hao Ji, Song He, Wen-Yin Xie, Pei-Sen Zhao, Wen-Zhi Ren, Wei Gao and Bao Yuan

Nutrients 2023, 15(23), 4877; https://doi.org/10.3390/nu15234877 - 22 Nov 2023

Cited by 5 | Viewed by 2406

Abstract

Ulcerative colitis (UC) is a chronic noninfectious intestinal disease that severely affects patients’ quality of life. Agaricus blazei Murrill polysaccharide (ABP) is an effective active ingredient extracted from Agaricus blazei Murrill (ABM). It has good efficacy in inhibiting tumor cell growth, lowering blood [...] Read more.

Ulcerative colitis (UC) is a chronic noninfectious intestinal disease that severely affects patients’ quality of life. Agaricus blazei Murrill polysaccharide (ABP) is an effective active ingredient extracted from Agaricus blazei Murrill (ABM). It has good efficacy in inhibiting tumor cell growth, lowering blood pressure, and improving atherosclerosis. However, its effect on colitis is unclear. The aim of this study was to analyze the protective effects and potential mechanisms of ABP against dextran sulfate sodium (DSS)-induced acute colitis in mice. The results showed that dietary supplementation with ABP significantly alleviated DSS-induced colitis symptoms, inflammatory responses, and oxidative stress. Meanwhile, ABP intervention was able to maintain the integrity of the intestinal mechanical barrier by promoting the expression of ZO-1 and Occludin tight junction proteins and facilitating mucus secretion. Moreover, 16S rRNA sequencing results suggested that ABP intervention was able to alleviate DSS-induced gut microbiota disruption, and nontargeted metabolomics results indicated that ABP was able to remodel metabolism. In conclusion, these results demonstrate that dietary supplementation with ABP alleviated DSS-induced acute colitis by maintaining intestinal barrier integrity and remodeling metabolism. These results improve our understanding of ABP function and provide a theoretical basis for the use of dietary supplementation with ABP for the prevention of ulcerative colitis. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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20 pages, 7905 KiB  

Open AccessArticle

Unraveling the Therapeutic Mechanism of Saussurea involucrata against Rheumatoid Arthritis: A Network Pharmacology and Molecular Modeling-Based Investigation

by Jinghua Chen, Xiaoke Wu and Ruitao Yu

Nutrients 2023, 15(19), 4294; https://doi.org/10.3390/nu15194294 - 9 Oct 2023

Cited by 4 | Viewed by 2355

Abstract

Rheumatoid arthritis (RA) is a chronic autoimmune disease with a global prevalence of approximately 0.46%, causing significant impairments in patients’ quality of life and an economic burden. Saussurea involucrata (SI) has long been used in traditional medicine to treat RA, but its underlying [...] Read more.

Rheumatoid arthritis (RA) is a chronic autoimmune disease with a global prevalence of approximately 0.46%, causing significant impairments in patients’ quality of life and an economic burden. Saussurea involucrata (SI) has long been used in traditional medicine to treat RA, but its underlying mechanism remains unclear. This study utilized network pharmacology and molecular docking to explore the potential pharmacological effects of bioactive compounds in SI on RA. A total of 27 active compounds were identified, along with 665 corresponding targets. Additionally, 593 disease-related targets were obtained from multiple databases, with 119 common targets shared with SI. The high-ranking targets mainly belong to the MAPK family and NF-κB pathway, including MAPK14, MAPK1, RELA, TNF, and MAPK8, all of which are associated with inflammation and joint destruction in RA. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis revealed significant pathways related to IL-17 signaling, Th17 cell differentiation, and osteoclast differentiation. Molecular docking and dynamic simulations demonstrated strong interactions between several flavonoids and RA-related targets. Xuelianlactone, Involucratin, and Flazin exhibit outstanding binding efficacy with targets such as MAPK1, MAPK8, and TNF. These findings provide valuable insights into the therapeutic potential of SI for RA and offer directions for further drug development. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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17 pages, 3346 KiB  

Open AccessArticle

Green Extraction of Phenolic Compounds from Lotus (Nelumbo nucifera Gaertn) Leaf Using Deep Eutectic Solvents: Process Optimization and Antioxidant Activity

by Jiwei Yang, Zhi Yan, Lingna Li, Lifen Zhang, Mengjian Zhao, Huixiang Yi, Ziying Wang, Gang Li, Zhenhua Wang, Mei Li and Chengjun Ma

Separations 2023, 10(5), 272; https://doi.org/10.3390/separations10050272 - 22 Apr 2023

Cited by 7 | Viewed by 2406

Abstract

Natural deep eutectic solvents (NDESs) were used to extract flavonoids and polyphenols from lotus (Nelumbo nucifera Gaertn.) leaves at the same time, and the extraction process was optimized to provide reference for the effective development and utilization of lotus leaves. The deep [...] Read more.

Natural deep eutectic solvents (NDESs) were used to extract flavonoids and polyphenols from lotus (Nelumbo nucifera Gaertn.) leaves at the same time, and the extraction process was optimized to provide reference for the effective development and utilization of lotus leaves. The deep eutectic solvents (DESs) with the highest yield of flavonoids and polyphenols were screened out from 19 different NDES combinations. The response surface method was employed to optimize the extraction process. After a rational design, a lactic acid/glycerol (molar ratio 1:2) DES was chosen as the optimal extraction solvent, and the optimum extraction parameters were as follow: water content (29%), liquid–solid ratio (37:1 mL/g), extraction time (61 min), and extraction temperature (53 °C). Compared with traditional water extraction or ethanol extraction, it improved the yield of flavonoids (126.10 mg/g) and polyphenols (126.10 mg/g). By LC–MS analysis, 19 flavonoids or organic acid compounds with known compound structural formulae were identified in the DES extract of lotus leaves. By comparing the free radical scavenging ability and total reducing ability, the extraction of lotus leaves using the NDES method was superior to both ethanol extraction and water extraction. It is a green, environmentally friendly, and efficient extraction method for antioxidants from leaves of Nelumbo nucifera Gaertn. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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24 pages, 2573 KiB  

Open AccessReview

Legume-Derived Bioactive Peptides in Type 2 Diabetes: Opportunities and Challenges

by Kanghong Hu, Huizhong Huang, Hanluo Li, Yanhong Wei and Chenguang Yao

Nutrients 2023, 15(5), 1096; https://doi.org/10.3390/nu15051096 - 22 Feb 2023

Cited by 15 | Viewed by 4440

Abstract

Diabetes mellitus is a complex disorder characterized by insufficient insulin production or insulin resistance, which results in a lifelong dependence on glucose-lowering drugs for almost all patients. During the fight with diabetes, researchers are always thinking about what characteristics the ideal hypoglycemic drugs [...] Read more.

Diabetes mellitus is a complex disorder characterized by insufficient insulin production or insulin resistance, which results in a lifelong dependence on glucose-lowering drugs for almost all patients. During the fight with diabetes, researchers are always thinking about what characteristics the ideal hypoglycemic drugs should have. From the point of view of the drugs, they should maintain effective control of blood sugar, have a very low risk of hypoglycemia, not increase or decrease body weight, improve β-cell function, and delay disease progression. Recently, the advent of oral peptide drugs, such as semaglutide, brings exciting hope to patients with chronic diabetes. Legumes, as an excellent source of protein, peptides, and phytochemicals, have played significant roles in human health throughout human history. Some legume-derived peptides with encouraging anti-diabetic potential have been gradually reported over the last two decades. Their hypoglycemic mechanisms have also been clarified at some classic diabetes treatment targets, such as the insulin receptor signaling pathway or other related pathways involved in the progress of diabetes, and key enzymes including α-amylase, α-glucosidase, and dipeptidyl peptidase-IV (DPP-4). This review summarizes the anti-diabetic activities and mechanisms of peptides from legumes and discusses the prospects of these peptide-based drugs in type 2 diabetes (T2D) management. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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19 pages, 3324 KiB  

Open AccessArticle

Shallow- and Deep-Water Ophiura Species Produce a Panel of Chlorin Compounds with Potent Photodynamic Anticancer Activities

by Antonina Klimenko, Robin Huber, Laurence Marcourt, Dmitry Tabakaev, Alexey Koval, Salim Sh. Dautov, Tatyana N. Dautova, Jean-Luc Wolfender, Rob Thew, Yuri Khotimchenko, Emerson Ferreira Queiroz and Vladimir L. Katanaev

Antioxidants 2023, 12(2), 386; https://doi.org/10.3390/antiox12020386 - 5 Feb 2023

Cited by 4 | Viewed by 2433

Abstract

A Pacific brittle star Ophiura sarsii has previously been shown to produce a chlorin (3S,4S)-14-Ethyl-9-(hydroxymethyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid (ETPA) (1) with potent phototoxic activities, making it applicable to photodynamic therapy. Using extensive LC-MS metabolite profiling, molecular network analysis, and [...] Read more.

A Pacific brittle star Ophiura sarsii has previously been shown to produce a chlorin (3S,4S)-14-Ethyl-9-(hydroxymethyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid (ETPA) (1) with potent phototoxic activities, making it applicable to photodynamic therapy. Using extensive LC-MS metabolite profiling, molecular network analysis, and targeted isolation with de novo NMR structure elucidation, we herein identify five additional chlorin compounds from O. sarsii and its deep-sea relative O. ooplax: 10S-Hydroxypheophorbide a (2), Pheophorbide a (3), Pyropheophorbide a (4), (3S,4S,21R)-14-Ethyl-9-(hydroxymethyl)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid (5), and (3S,4S,21R)-14-Ethyl-21-hydroxy-9-(hydroxymethyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid (6). Chlorins 5 and 6 have not been previously reported in natural sources. Interestingly, low amounts of chlorins 1–4 and 6 could also be identified in a distant species, the basket star Gorgonocephalus cf. eucnemis, demonstrating that chlorins are produced by a wide spectrum of marine invertebrates of the class Ophiuroidea. Following the purification of these major Ophiura chlorin metabolites, we discovered the significant singlet oxygen quantum yield upon their photoinduction and the resulting phototoxicity against triple-negative breast cancer BT-20 cells. These studies identify an arsenal of brittle star chlorins as natural photosensitizers with potential photodynamic therapy applications. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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13 pages, 1561 KiB  

Open AccessArticle

Molecular Mechanism of Fucoidan Nanoparticles as Protector on Endothelial Cell Dysfunction in Diabetic Rats’ Aortas

by Giftania Wardani, Jusak Nugraha, Rochmah Kurnijasanti, Mohammad Rais Mustafa and Sri Agus Sudjarwo

Nutrients 2023, 15(3), 568; https://doi.org/10.3390/nu15030568 - 21 Jan 2023

Cited by 8 | Viewed by 2702

Abstract

Antioxidants have an important role in protecting against diabetes complications such as vascular endothelial cell damage. Fucoidan has strong antioxidant properties, therefore the aim of this study was to investigate the protective mechanism of fucoidan nanoparticles through the pathway of antioxidant activity against [...] Read more.

Antioxidants have an important role in protecting against diabetes complications such as vascular endothelial cell damage. Fucoidan has strong antioxidant properties, therefore the aim of this study was to investigate the protective mechanism of fucoidan nanoparticles through the pathway of antioxidant activity against streptozotocin-induced diabetic aortic endothelial cell dysfunction in rats. Fucoidan nanoparticles are made utilizing high-energy ball milling. This research consists of five groups, namely: control rats, rats were administered aquadest; diabetic rats, rats were administered streptozotocin (STZ); fucoidan nanoparticle rats, rats were administered STZ and fucoidan nanoparticles. Aortic tissue was collected for the evaluation of ROS (reactive oxygen species), Malondialdehyde (MDA), superoxide Dismutase (SOD), Glutathione Peroxidase (GPx), Nuclear factor erythroid-2-related factor 2 (Nrf2), Nitric Oxide (NO), cyclic Guanosine Monophosphate (cGMP), relaxation response of acetylcholine (Ach), and the diameter of the aorta. The size distribution of the fucoidan nanoparticles was 267.2 ± 42.8 nm. Administration of fucoidan nanoparticles decreased the levels of ROS and MDA, and increased the levels of SOD, levels of GPx, Nrf2 expression, NO levels, cGMP expression, the relaxation response of Ach, and lumen diameter of the aorta, which are significantly different when compared with diabetic rats, p < 0.05. In this study, we concluded that the mechanism pathway of fucoidan nanoparticles prevents aortic endothelial cell dysfunction in diabetic rats through antioxidant activity by reducing ROS and MDA and incrementing SOD levels, GPx levels, and Nrf2 expression. All of these can lead to an elevated relaxation response effect of Ach and an increase in the lumen diameter of the aorta, which indicates a protective effect of fucoidan nanoparticles on aortic endothelial cells. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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14 pages, 2489 KiB  

Open AccessArticle

Identification of Kynurenic Acid-Induced Apoptotic Biomarkers in Gastric Cancer-Derived AGS Cells through Next-Generation Transcriptome Sequencing Analysis

by Hun Hwan Kim, Sang Eun Ha, Min Yeong Park, Se Hyo Jeong, Pritam Bhagwan Bhosale, Abuyaseer Abusaliya, Chung Kil Won, Jeong Doo Heo, Meejung Ahn, Je Kyung Seong, Hyun Wook Kim and Gon Sup Kim

Nutrients 2023, 15(1), 193; https://doi.org/10.3390/nu15010193 - 30 Dec 2022

Cited by 5 | Viewed by 2589

Abstract

Understanding the triggers and therapeutic targets for gastric cancer, one of the most common cancers worldwide, can provide helpful information for the development of therapeutics. RNA sequencing technology can be utilized to identify complex disease targets and therapeutic applications. In the present study, [...] Read more.

Understanding the triggers and therapeutic targets for gastric cancer, one of the most common cancers worldwide, can provide helpful information for the development of therapeutics. RNA sequencing technology can be utilized to identify complex disease targets and therapeutic applications. In the present study, we aimed to establish the pharmacological target of Kynurenic acid (KYNA) for gastric cancer AGS cells and to identify the biological network. RNA sequencing identified differentially expressed genes (DEGs) between KYNA-treated and untreated cells. A total of 278 genes were differentially expressed, of which 120 genes were up-regulated, and 158 genes were down-regulated. Gene ontology results confirmed that KYNA had effects such as a reduction in genes related to DNA replication and nucleosome organization on AGS cells. Protein–protein interaction was confirmed through STRING analysis, and it was confirmed that cancer cell growth and proliferation were inhibited through KEGG, Reactome, and Wiki pathway analysis, and various signaling pathways related to cancer cell death were induced. It was confirmed that KYNA treatment reduced the gene expression of cancer-causing AP-1 factors (Fos, Jun, ATF, and JDP) in AGS cell lines derived from gastric cancer. Overall, using next-generation transcriptome sequencing data and bioinformatics tools, we confirmed that KYNA had an apoptosis effect by inducing changes in various genes, including factor AP-1, in gastric cancer AGS cells. This study can identify pharmacological targets for gastric cancer treatment and provide a valuable resource for drug development. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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9 pages, 2647 KiB  

Open AccessArticle

Efficient Production of Antioxidants from Rape Pollen via a Chromatographic Strategy

by Liugen Jin, Haiqing Liu, Xueliang Liu, Ke Gu, Minchen Wu and Jianfeng Huang

Separations 2022, 9(12), 445; https://doi.org/10.3390/separations9120445 - 15 Dec 2022

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Abstract

Rape pollen has always been considered as a research hotspot in health foods and pharmaceuticals due to its abundance of natural active ingredients. In this work, a compound with antioxidant activity was directly isolated from the methanol extract of rape pollen using a [...] Read more.

Rape pollen has always been considered as a research hotspot in health foods and pharmaceuticals due to its abundance of natural active ingredients. In this work, a compound with antioxidant activity was directly isolated from the methanol extract of rape pollen using a two-step procedure, under the supervision of online HPLC−1,1-diphenyl-2-picrylhydrazyl (HPLC-DPPH) detection. Firstly, online HPLC−DPPH detection was used to identify the active peaks in the methanol extract of rape pollen, and then the methanol extract was pretreated via medium-pressure liquid chromatography (MPLC) to obtain the target fraction 3 (Fr3). Fr3 was further purified using HPLC to finally obtain the target fraction 3-1, which was identified as kaempferol 3,4′-di-O-β-D-glucopyranoside through NMR and mass spectrometry. To further explore the free radical scavenging activity of this compound, its DPPH scavenging ability was determined, and two proteins related to the antioxidant pathway were used for molecular docking. The results revealed that the chromatographic strategy used in this study was efficient and reliable in separating high−purity antioxidants from rape pollen. A strategy such as this, meanwhile, also holds promise for qualitatively identifying and specifically isolating active compounds from other natural products. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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9 pages, 8567 KiB  

Open AccessArticle

Target Discovery of Flavonoids from Elymus nutans Griseb Using Medium- and High-Pressure Liquid Chromatography Combined with Online High-Performance Liquid Chromatography–1,1-diphenyl-2-picrylhydrazyl Detection

by Lili Sheng, Zhaofei Hou and Yufeng Hu

Separations 2022, 9(12), 437; https://doi.org/10.3390/separations9120437 - 13 Dec 2022

Viewed by 1429

Abstract

Forage-based nutrients constitute the main forage value of forage grass. Elymus nutans Griseb possesses a wide ecological adaptability, enhanced crude protein content, good palatability, and excellent genes. Herein, employing medium- (MPLC) and high-pressure liquid chromatography (HPLC), along with online HPLC-DPPH (OHD)-based identification, two [...] Read more.

Forage-based nutrients constitute the main forage value of forage grass. Elymus nutans Griseb possesses a wide ecological adaptability, enhanced crude protein content, good palatability, and excellent genes. Herein, employing medium- (MPLC) and high-pressure liquid chromatography (HPLC), along with online HPLC-DPPH (OHD)-based identification, two primary radical scavenging compounds were extracted and identified from the methanolic extract of Elymus nutans Griseb. With a starting material of 300 g of Elymus nutans Griseb, 5.95 g of the target DPPH suppressors fraction (Fr6) was separated following one cycle of MCI GEL^® CHP20P medium pressure liquid chromatography. A Kromasil 100-5-Phenyl column was subsequently employed for further purification of the fraction, which yielded 432.16 mg of Fr62 (7.26% recovery) and 489.01 mg of Fr63 (8.22% recovery). The target compounds were then assessed based on their structure and purity, and two compounds (salcolin A and tricin) were extracted with > 95% purity. This newly designed procedure was highly effective for the targeted flavonoids, and high-purity radical scavenger extraction from forage extracts. This methodology can potentially provide a scientific basis for their quality evaluation. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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13 pages, 2458 KiB  

Open AccessArticle

Medium- and High-Pressure Integrated Chromatographic Strategies for the Isolation and Purification of Free Radical Inhibitors from Dracocephalum heterophyllum

by Yue Lv, Ze Wang, Qilan Wang and Jun Dang

Separations 2022, 9(12), 420; https://doi.org/10.3390/separations9120420 - 8 Dec 2022

Viewed by 1412

Abstract

Dracocephalum heterophyllum has been reported as a traditional Tibetan medicine with diverse therapeutic benefits for the effective treatment of various diseases. However, only a few reports on its free radical inhibitors are limited due to its complex chemical composition and difficult isolation and [...] Read more.

Dracocephalum heterophyllum has been reported as a traditional Tibetan medicine with diverse therapeutic benefits for the effective treatment of various diseases. However, only a few reports on its free radical inhibitors are limited due to its complex chemical composition and difficult isolation and purification processes. In this study, five free radical inhibitors are isolated by an integrated chromatographic method from Dracocephalum heterophyllum, followed by an investigation of the in vitro antioxidant activity utilizing 1,1-diphenyl-2-picrylhydrazyl (DPPH) assay. Medium-pressure liquid chromatography was used for the pretreatment of the crude extract of Dracocephalum heterophyllum and targeted separation and purification of the free radical inhibitors using high-pressure liquid chromatography; the antioxidant peaks are recognized by the separation and purification process in combination with an online HPLC-DPPH system. Five free radical inhibitors with purity higher than 95% were obtained, namely xanthotoxol, 5-hydroxy-8-methoxypsoralen, luteolin, methyl rosmarinate, and ethyl rosmarinate. Finally, DPPH assays are performed, and their IC₅₀ values for isolated compounds are 250.39 ± 13.32 μM, 26.91 ± 1.93 μM, 66.87 ± 14.33 μM, 21.99 ± 3.17 μM, and 36.96 ± 1.72 μM, respectively. This method is effective in isolating free radical inhibitors from Dracocephalum heterophyllum, and it has the potential to be adopted for the isolation of antioxidants from other plants of medicinal value as well. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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20 pages, 4407 KiB  

Open AccessArticle

Moderate Hyperglycemia-Preventive Effect and Mechanism of Action of Periplaneta americana Oligosaccharides in Streptozotocin-Induced Diabetic Mice

by Kaimin Lu, Yufei He, Chuanfang Wu and Jinku Bao

Nutrients 2022, 14(21), 4620; https://doi.org/10.3390/nu14214620 - 2 Nov 2022

Cited by 4 | Viewed by 2591

Abstract

Periplaneta americana is a kind of medicinal and edible insect, and its oligosaccharides (PAOS) have been reported to exert anti-inflammatory effects by regulating immunity, reducing oxidative stress, and meliorating gut microbiota. We hypothesized PAOS might benefit experimental diabetes mellitus (DM), an inflammatory disease [...] Read more.

Periplaneta americana is a kind of medicinal and edible insect, and its oligosaccharides (PAOS) have been reported to exert anti-inflammatory effects by regulating immunity, reducing oxidative stress, and meliorating gut microbiota. We hypothesized PAOS might benefit experimental diabetes mellitus (DM), an inflammatory disease coordinated by both innate and adaptive immunity. This study aimed to evaluate the effect of PAOS on glycemia and its potential mechanisms. Mice model of diabetes was established, and then the potential effects of PAOS was tested in vivo. Here, we found that PAOS triggered a moderate hyperglycemia-preventive effect on DM mice, showing markedly alleviated symptoms of DM, reduced blood glucose, and meliorated functions of liver and pancreas β cell. Deciphering the underlying mechanism of PAOS-improving diabetes, the results revealed that PAOS downregulated the blood glucose level by activating PI3K/AKT/mTOR and Keap/Nrf2/HO-1 pathways, meanwhile inhibiting TLR4/MAPK/NF-κB, Beclin1/LC3, and NLRP3/caspase1 pathways in vivo. Furthermore, analyses of the microbial community intriguingly exhibited that PAOS promoted the communities of bacteria producing short-chain fatty acids (SCFAs), whereas attenuating lipopolysaccharides (LPS)-producing ones that favored inflammatory tolerance. Collectively, balancing the intestinal bacterial communities by PAOS, which favored anabolism but suppressed inflammatory responses, contributed substantially to the glycemia improvement of PAOS in DM mice. Accordingly, PAOS might function as complementary and alternative medicine for DM. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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26 pages, 6366 KiB  

Open AccessArticle

Amelioration of Alcoholic Liver Disease by Activating PXR-Cytochrome P450s Axis with Blackberry Extract

by Ting Xiao, Zhenghong Guo, Min Fu, Jiaoyan Huang, Xiaowei Wang, Yuqing Zhao, Ling Tao and Xiangchun Shen

Separations 2022, 9(10), 321; https://doi.org/10.3390/separations9100321 - 21 Oct 2022

Cited by 2 | Viewed by 2150

Abstract

Blackberry is widely used in diets for its rich biological phytochemicals and health benefits. However, the relationship between the effect of blackberry extract (BBE) on ameliorating alcoholic liver disease (ALD) and the PXR-Cytochrome P450s axis in vivo and in vitro is unknown. In [...] Read more.

Blackberry is widely used in diets for its rich biological phytochemicals and health benefits. However, the relationship between the effect of blackberry extract (BBE) on ameliorating alcoholic liver disease (ALD) and the PXR-Cytochrome P450s axis in vivo and in vitro is unknown. In this study, 50% and 30% ethanol by gavage were used to establish acute and subacute ALD. Male mice were intragastrically administered BBE with 25, 50, and 100 mg/kg BW in the treatment groups. In the experiment, samples were collected, and related indices and histopathological observation were measured. In addition, the potential mechanism was predicted by network and docking studies, which were verified by qRT-PCR analysis, the detection of apoptosis, the measurement of mitochondrial membrane potential, the detection of ROS levels, and Western blotting in liver tissues and HepG2 cells. The acute and subacute ALD experiments indicated BBE ameliorated liver indices, AST, ALT, SOD, and MDA in serum, and the histopathology changed, as observed via H&E, Sirius red, and oil red O staining. The potential mechanism was predicted by network and docking studies, which were verified by experiments. Western blotting suggested BBE reduced the protein expression of NF-κB, TGF-β, IL-6, and α-SMA, and enhanced PXR and CAR in livers. In addition, qRT-PCR showed BBE significantly elevated the mRNA levels of PXR, CAR, CYP3A25, CYP3A11, and CYP2B10. In the experiment of the ethanol-induced apoptosis of HepG2 cells, BBE reduced the apoptosis of HepG2 cells by boosting mitochondrial membrane potential, reducing the apoptotic rate and ROS content, lessening the expression of Bax, and inducing the expression of PXR. For the first time, this study demonstrated BBE’s preventive effects on ALD, which are associated with the antioxidation and stimulation of the PXR-Cytochrome P450s axis. In addition, BBE is available as a nutritional agent. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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24 pages, 5088 KiB  

Open AccessArticle

Synthesis and Characterization with Computational Studies of Metal Complexes of Methyl 2-((4-cyanophenyl)(hydroxy) methyl)acrylate: A New Biologically Active Multi-Functional Adduct

by Shazia Ishfaq, Shazia Nisar, Amtul Qayum, Sadaf Iqbal, Nasreen Fatima, Fatmah Ali Alasmary, Amani Salem Almalki, ElSayed M. Tag El Din, Muhammad Sufyan Javed and Patrizia Bocchetta

Separations 2022, 9(10), 306; https://doi.org/10.3390/separations9100306 - 13 Oct 2022

Viewed by 2827

Abstract

The title ligand (L^”_x), methyl 2-((4-cyanophenyl)(hydroxy)methyl)acrylate was synthesized following the Morita-Baylis-Hillman reaction scheme. Spectroscopic techniques such as: UV- Visible, FT-IR, ESI-MS, and ¹H NMR helped in characterization of the L^”_x. Complexes of Cr³⁺, Co [...] Read more.

The title ligand (L^”_x), methyl 2-((4-cyanophenyl)(hydroxy)methyl)acrylate was synthesized following the Morita-Baylis-Hillman reaction scheme. Spectroscopic techniques such as: UV- Visible, FT-IR, ESI-MS, and ¹H NMR helped in characterization of the L^”_x. Complexes of Cr³⁺, Co³⁺, Ni²⁺, Mn²⁺, Cu²⁺ with L^”_x were prepared and characterized by UV- Visible, FT-IR and powder-XRD. FTIR spectrum of the L^”_x generated through DFT B3LYP method and 6-311++ G (d,p) basis set was found in good agreement with experimental spectrum. Additionally, the semi-empirical PM6 method optimization helped propose the most suitable geometries of the complexes with Cr³⁺, Co³⁺ possessing octahedral, Ni²⁺ square planner, Mn²⁺ and Cu²⁺ tetrahedral geometries. Powder-XRD patterns of the complexes have revealed cubic crystal class for Cr³⁺ and Co³⁺, whereas hexagonal, orthorhombic, and monoclinic for Ni²⁺, Mn^2+, and Cu²⁺ complexes were observed, respectively. In addition, the nano-particle size was found in the range of 8.2560–4.5316 nm for complexes. Antibacterial activity against S. aureus, E. coli, B. pumilis and S. typhi confirmed a substantially high potential, as endorsed by their Molecular docking studies, of Ni²⁺ and Cu²⁺ complexes against each bacterial strain. Moreover, all compounds exhibited positive antioxidant activities, but have no antifungal potential except L^”_x. The current study demonstrates the usefulness of these novel transition metal complexes as possible potent antibacterial and antioxidant agents. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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24 pages, 5308 KiB  

Open AccessArticle

Ethyl Acetate Extract of Dracocephalum heterophyllum Benth Ameliorates Nonalcoholic Steatohepatitis and Fibrosis via Regulating Bile Acid Metabolism, Oxidative Stress and Inhibiting Inflammation

by Yan Fang, Dandan Sun, Gang Li, Yue Lv, Jia Li, Qilan Wang and Jun Dang

Separations 2022, 9(10), 273; https://doi.org/10.3390/separations9100273 - 30 Sep 2022

Cited by 1 | Viewed by 1904

Abstract

Dracocephalum heterophyllum Benth is well-known for its ability to alleviate liver heat. In this study, Dracocephalum heterophyllum Benth ethyl acetate extracts were evaluated on mouse models of nonalcoholic steatohepatitis and liver fibrosis. After 6 and 8 weeks of treatment, serum parameters and gene [...] Read more.

Dracocephalum heterophyllum Benth is well-known for its ability to alleviate liver heat. In this study, Dracocephalum heterophyllum Benth ethyl acetate extracts were evaluated on mouse models of nonalcoholic steatohepatitis and liver fibrosis. After 6 and 8 weeks of treatment, serum parameters and gene expressions in tissue samples, as well as stained tissue sections, demonstrated that the ethyl acetate extracts were effective in treating these liver diseases. The principal bioactive constituent (rosmarinic acid) was identified and screened by high pressure liquid chromatography-1,1-diphenyl-2-picrylhydrazyl and affinity ultrafiltration-HPLC. The rosmarinic acid was separated from extracts with high purity by medium- and high-pressure liquid chromatography. Finally, the interactions between rosmarinic acid and the key targets of lipid metabolism, oxidative stress and inflammation were verified by molecular docking. Thereby, an indirect regulation of lipid and cholesterol metabolism and inhibition of liver inflammation and liver fibrosis by the studied extract has been observed. This study demonstrated that Dracocephalum heterophyllum Benth ethyl acetate extracts have the potential to treat nonalcoholic steatohepatitis and liver fibrosis, revealing their multi-target and multi-pathway therapeutic characteristics. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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26 pages, 6477 KiB  

Open AccessArticle

Multiprotein Inhibitory Effect of Dietary Polyphenol Rutin from Whole Green Jackfruit Flour Targeting Different Stages of Diabetes Mellitus: Defining a Bio-Computational Stratagem

by Tejaswini Maradesha, Shashank M. Patil, Bhaskar Phanindra, Raghu Ram Achar, Ekaterina Silina, Victor Stupin and Ramith Ramu

Separations 2022, 9(9), 262; https://doi.org/10.3390/separations9090262 - 19 Sep 2022

Cited by 13 | Viewed by 3564

Abstract

The anti-diabetic potential of whole unripe jackfruit (peel with pulp, flake, and seed) was investigated using inhibitory assays for α-glucosidase, α-amylase, aldose reductase, and glycation at multiple stages. Using activity-guided repeated fractionation on a silica gel column chromatography, dietary flavonoid rutin with potent [...] Read more.

The anti-diabetic potential of whole unripe jackfruit (peel with pulp, flake, and seed) was investigated using inhibitory assays for α-glucosidase, α-amylase, aldose reductase, and glycation at multiple stages. Using activity-guided repeated fractionation on a silica gel column chromatography, dietary flavonoid rutin with potent antihyperglycemic activity was extracted from the methanol extract of whole jackfruit flour (MJ). Rutin was found to inhibit both α-glucosidase (IC₅₀: 7.86 µg/mL) and α-amylase (IC₅₀: 22.00 µg/mL) in a competitive manner of inhibition with low Ki values. In addition, in vitro glycation experiments revealed that rutin prevented each stage of protein glycation as well as the production of intermediate molecules. Furthermore, rutin significantly inhibited aldose reductase (IC₅₀: 2.75 µg/mL) in a non-competitive manner. During in silico studies, molecular docking and molecular dynamics simulation studies have suggested that rutin has a high binding affinity for the enzymes studied, which could explain its inhibitory effects. Rutin interacted with the key residues of the target enzymes’ inhibitor binding sites. Compared to the controls used, rutin had a higher binding efficiency as well as stability in the inhibitor binding pocket of the target enzymes. According to our findings, the presence of rutin is more likely to be associated with the potential of MJ in antihyperglycemic activity via inhibition of α-glucosidase and in anti-diabetic action via inhibition of the polyol pathway and protein glycation. The bio-computational study indicates rutin as a potential lead inhibitor of all the target enzymes used and could be used as an effective anti-diabetic drug in the near future. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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11 pages, 2974 KiB  

Open AccessArticle

Combination of Medium- and High-Pressure Liquid Chromatography for Isolation of L-tryptophan (Q-marker) from Medicago sativa Extract

by Shixuan Zhang, Yonggui Ma, Ronghua Ma, Qilan Wang and Jun Dang

Separations 2022, 9(9), 240; https://doi.org/10.3390/separations9090240 - 2 Sep 2022

Cited by 2 | Viewed by 1861

Abstract

Medicago sativa (alfalfa) is a widely used animal feed. However, its quality has been difficult to control due to the lack of appropriate marker compounds. Therefore, it is very necessary to select an appropriate quality marker (Q-marker) to control its quality. In this [...] Read more.

Medicago sativa (alfalfa) is a widely used animal feed. However, its quality has been difficult to control due to the lack of appropriate marker compounds. Therefore, it is very necessary to select an appropriate quality marker (Q-marker) to control its quality. In this study, medium-pressure liquid chromatography and high-pressure liquid chromatography were employed to effectively prepare the separation of the Q-marker (L-tryptophan) from Medicago sativa. Firstly, using MCI GEL^® CHP20P as the stationary phase, 2.5 g of the target fraction Fr3 was enriched from crude Medicago sativa extract (2.9 kg) by medium-pressure liquid chromatography. Secondly, Sephadex LH-20 was used to further separate Fr3 fractions, and the Fr34 fraction (358.3 mg) was enriched after 14 repetitions. Lastly, using the ReproSil-Pur C18 AQ preparative column, 63.4 mg of L-tryptophan was obtained by high-pressure liquid chromatography, and the purity was above 95%. The results showed that medium-pressure liquid chromatography (MCI GEL^® CHP20P and Sephadex LH-20) combined with high-pressure liquid chromatography (ReproSil-Pur C18 AQ) could be used to effectively prepare the Q-marker from natural products with satisfactory purity. Full article

(This article belongs to the Topic Discovery of Bioactive Compounds from Natural Organisms and Their Molecular Mechanisms against Diseases)

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