Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 20 de 1.771
Filtrar
1.
Molecules ; 25(17)2020 Aug 28.
Artigo em Inglês | MEDLINE | ID: mdl-32872217

RESUMO

A pandemic caused by the novel coronavirus (SARS-CoV-2 or COVID-19) began in December 2019 in Wuhan, China, and the number of newly reported cases continues to increase. More than 19.7 million cases have been reported globally and about 728,000 have died as of this writing (10 August 2020). Recently, it has been confirmed that the SARS-CoV-2 main protease (Mpro) enzyme is responsible not only for viral reproduction but also impedes host immune responses. The Mpro provides a highly favorable pharmacological target for the discovery and design of inhibitors. Currently, no specific therapies are available, and investigations into the treatment of COVID-19 are lacking. Therefore, herein, we analyzed the bioactive phytocompounds isolated by gas chromatography-mass spectroscopy (GC-MS) from Tinospora crispa as potential COVID-19 Mpro inhibitors, using molecular docking study. Our analyses unveiled that the top nine hits might serve as potential anti-SARS-CoV-2 lead molecules, with three of them exerting biological activity and warranting further optimization and drug development to combat COVID-19.


Assuntos
Antivirais/química , Betacoronavirus/química , Compostos Fitoquímicos/química , Inibidores de Proteases/química , Tinospora/química , Proteínas não Estruturais Virais/antagonistas & inibidores , Antivirais/classificação , Antivirais/isolamento & purificação , Antivirais/farmacologia , Betacoronavirus/efeitos dos fármacos , Betacoronavirus/enzimologia , Domínio Catalítico , Infecções por Coronavirus/tratamento farmacológico , Cisteína Endopeptidases/química , Cisteína Endopeptidases/genética , Cisteína Endopeptidases/metabolismo , Descoberta de Drogas , Cromatografia Gasosa-Espectrometria de Massas , Expressão Gênica , Humanos , Cinética , Simulação de Acoplamento Molecular , Pandemias , Compostos Fitoquímicos/classificação , Compostos Fitoquímicos/isolamento & purificação , Compostos Fitoquímicos/farmacologia , Pneumonia Viral/tratamento farmacológico , Inibidores de Proteases/classificação , Inibidores de Proteases/isolamento & purificação , Inibidores de Proteases/farmacologia , Ligação Proteica , Domínios e Motivos de Interação entre Proteínas , Estrutura Secundária de Proteína , Especificidade por Substrato , Termodinâmica , Proteínas não Estruturais Virais/química , Proteínas não Estruturais Virais/genética , Proteínas não Estruturais Virais/metabolismo
2.
Molecules ; 25(17)2020 Aug 22.
Artigo em Inglês | MEDLINE | ID: mdl-32842606

RESUMO

Presently, there are no approved drugs or vaccines to treat COVID-19, which has spread to over 200 countries and at the time of writing was responsible for over 650,000 deaths worldwide. Recent studies have shown that two human proteases, TMPRSS2 and cathepsin L, play a key role in host cell entry of SARS-CoV-2. Importantly, inhibitors of these proteases were shown to block SARS-CoV-2 infection. Here, we perform virtual screening of 14,011 phytochemicals produced by Indian medicinal plants to identify natural product inhibitors of TMPRSS2 and cathepsin L. AutoDock Vina was used to perform molecular docking of phytochemicals against TMPRSS2 and cathepsin L. Potential phytochemical inhibitors were filtered by comparing their docked binding energies with those of known inhibitors of TMPRSS2 and cathepsin L. Further, the ligand binding site residues and non-covalent interactions between protein and ligand were used as an additional filter to identify phytochemical inhibitors that either bind to or form interactions with residues important for the specificity of the target proteases. This led to the identification of 96 inhibitors of TMPRSS2 and 9 inhibitors of cathepsin L among phytochemicals of Indian medicinal plants. Further, we have performed molecular dynamics (MD) simulations to analyze the stability of the protein-ligand complexes for the three top inhibitors of TMPRSS2 namely, qingdainone, edgeworoside C and adlumidine, and of cathepsin L namely, ararobinol, (+)-oxoturkiyenine and 3α,17α-cinchophylline. Interestingly, several herbal sources of identified phytochemical inhibitors have antiviral or anti-inflammatory use in traditional medicine. Further in vitro and in vivo testing is needed before clinical trials of the promising phytochemical inhibitors identified here.


Assuntos
Antivirais/química , Betacoronavirus/efeitos dos fármacos , Catepsina L/química , Compostos Fitoquímicos/química , Inibidores de Proteases/química , Receptores Virais/química , Serina Endopeptidases/química , Sequência de Aminoácidos , Antivirais/isolamento & purificação , Antivirais/farmacologia , Betacoronavirus/patogenicidade , Sítios de Ligação , Catepsina L/antagonistas & inibidores , Catepsina L/genética , Catepsina L/metabolismo , Infecções por Coronavirus/tratamento farmacológico , Infecções por Coronavirus/enzimologia , Infecções por Coronavirus/virologia , Cumarínicos/química , Cumarínicos/isolamento & purificação , Cumarínicos/farmacologia , Expressão Gênica , Ensaios de Triagem em Larga Escala , Interações Hospedeiro-Patógeno/efeitos dos fármacos , Interações Hospedeiro-Patógeno/genética , Humanos , Índia , Simulação de Acoplamento Molecular , Simulação de Dinâmica Molecular , Monossacarídeos/química , Monossacarídeos/isolamento & purificação , Monossacarídeos/farmacologia , Pandemias , Compostos Fitoquímicos/isolamento & purificação , Compostos Fitoquímicos/farmacologia , Plantas Medicinais/química , Pneumonia Viral/tratamento farmacológico , Pneumonia Viral/enzimologia , Pneumonia Viral/virologia , Inibidores de Proteases/isolamento & purificação , Inibidores de Proteases/farmacologia , Ligação Proteica , Conformação Proteica em alfa-Hélice , Conformação Proteica em Folha beta , Domínios e Motivos de Interação entre Proteínas , Quinazolinas/química , Quinazolinas/isolamento & purificação , Quinazolinas/farmacologia , Receptores Virais/antagonistas & inibidores , Receptores Virais/genética , Receptores Virais/metabolismo , Serina Endopeptidases/genética , Serina Endopeptidases/metabolismo , Termodinâmica , Internalização do Vírus/efeitos dos fármacos
3.
Comput Biol Med ; 124: 103936, 2020 09.
Artigo em Inglês | MEDLINE | ID: mdl-32738628

RESUMO

Virtual screening of phytochemicals was performed through molecular docking, simulations, in silico ADMET and drug-likeness prediction to identify the potential hits that can inhibit the effects of SARS-CoV-2. Considering the published literature on medicinal importance, 154 phytochemicals with analogous structure from limonoids and triterpenoids were selected to search potential inhibitors for the five therapeutic protein targets of SARS-CoV-2, i.e., 3CLpro (main protease), PLpro (papain-like protease), SGp-RBD (spike glycoprotein-receptor binding domain), RdRp (RNA dependent RNA polymerase) and ACE2 (angiotensin-converting enzyme 2). The in silico computational results revealed that the phytochemicals such as glycyrrhizic acid, limonin, 7-deacetyl-7-benzoylgedunin, maslinic acid, corosolic acid, obacunone and ursolic acid were found to be effective against the target proteins of SARS-CoV-2. The protein-ligand interaction study revealed that these phytochemicals bind with the amino acid residues at the active site of the target proteins. Therefore, the core structure of these potential hits can be used for further lead optimization to design drugs for SARS-CoV-2. Also, the medicinal plants containing these phytochemicals like licorice, neem, tulsi, citrus and olives can be used to formulate suitable therapeutic approaches in traditional medicines.


Assuntos
Antivirais/farmacologia , Betacoronavirus/química , Betacoronavirus/efeitos dos fármacos , Infecções por Coronavirus/tratamento farmacológico , Infecções por Coronavirus/virologia , Limoninas/farmacologia , Pneumonia Viral/tratamento farmacológico , Pneumonia Viral/virologia , Triterpenos/farmacologia , Antivirais/química , Antivirais/farmacocinética , Sítios de Ligação , Biologia Computacional , Simulação por Computador , Avaliação Pré-Clínica de Medicamentos , Interações entre Hospedeiro e Microrganismos/efeitos dos fármacos , Humanos , Limoninas/química , Limoninas/farmacocinética , Simulação de Acoplamento Molecular , Pandemias , Peptidil Dipeptidase A/química , Peptidil Dipeptidase A/efeitos dos fármacos , Compostos Fitoquímicos/química , Compostos Fitoquímicos/farmacocinética , Compostos Fitoquímicos/farmacologia , RNA Replicase/química , RNA Replicase/efeitos dos fármacos , Glicoproteína da Espícula de Coronavírus/química , Glicoproteína da Espícula de Coronavírus/efeitos dos fármacos , Triterpenos/química , Triterpenos/farmacocinética , Proteínas não Estruturais Virais/química , Proteínas não Estruturais Virais/efeitos dos fármacos , Proteínas Virais/química , Proteínas Virais/efeitos dos fármacos
4.
Food Chem ; 333: 127506, 2020 Dec 15.
Artigo em Inglês | MEDLINE | ID: mdl-32679417

RESUMO

Artichoke floral stems (AFS) food waste by-products were examined for their phytochemical constituents and their in vitro and in vivo biological activities. Although that the highest total phenol content and total flavonoid content were found in ethyl acetate extract, methanol extract possessed the strongest DPPH and ABTS radical scavenging activity, and showed the highest reducing ferric antioxidant power (FRAP). The anti-acetylcholinesterase activity was higher in butanol extract, whereas the ethyl acetate extract had the highest inhibitory effect on heat-induced protein denaturation. In alloxan-induced diabetic mice, the AFS methanol extract (AFSE) rich in caffeoylquinic acids and flavones reduced blood glucose, alanine aminotransferase (ALT), aspartate aminotransferase (AST), alkaline phosphatase, creatinine, and improved liver, and renal antioxidative status. Administration of AFSE to diabetic mice reduced total cholesterol, triglycerides, LDL-cholesterol, and the atherogenic index of plasma (AIP) suggesting its hypolipidemic action. Overall, AFS could be considered as attractive source of health-promoting ingredients.


Assuntos
Cynara scolymus/química , Compostos Fitoquímicos/análise , Extratos Vegetais/química , Alanina Transaminase , Animais , Antioxidantes/química , Antioxidantes/metabolismo , Bactérias/efeitos dos fármacos , Glicemia/análise , Candida albicans/efeitos dos fármacos , Cromatografia Líquida de Alta Pressão , Cynara scolymus/metabolismo , Diabetes Mellitus Experimental/induzido quimicamente , Diabetes Mellitus Experimental/tratamento farmacológico , Diabetes Mellitus Experimental/patologia , Flavonoides/análise , Flores/química , Flores/metabolismo , Fígado/efeitos dos fármacos , Fígado/metabolismo , Masculino , Camundongos , Testes de Sensibilidade Microbiana , Fenóis/análise , Compostos Fitoquímicos/química , Compostos Fitoquímicos/farmacologia , Compostos Fitoquímicos/uso terapêutico , Extratos Vegetais/farmacologia , Caules de Planta/química , Caules de Planta/metabolismo , Espectrometria de Massas por Ionização por Electrospray
5.
BMC Bioinformatics ; 21(1): 238, 2020 Jun 10.
Artigo em Inglês | MEDLINE | ID: mdl-32522154

RESUMO

BACKGROUND: Phytochemicals and other molecules in foods elicit positive health benefits, often by poorly established or unknown mechanisms. While there is a wealth of data on the biological and biophysical properties of drugs and therapeutic compounds, there is a notable lack of similar data for compounds commonly present in food. Computational methods for high-throughput identification of food compounds with specific biological effects, especially when accompanied by relevant food composition data, could enable more effective and more personalized dietary planning. We have created a machine learning-based tool (PhyteByte) to leverage existing pharmacological data to predict bioactivity across a comprehensive molecular database of foods and food compounds. RESULTS: PhyteByte uses a cheminformatic approach to structure-based activity prediction and applies it to uncover the putative bioactivity of food compounds. The tool takes an input protein target and develops a random forest classifier to predict the effect of an input molecule based on its molecular fingerprint, using structure and activity data available from the ChEMBL database. It then predicts the relevant bioactivity of a library of food compounds with known molecular structures from the FooDB database. The output is a list of food compounds with high confidence of eliciting relevant biological effects, along with their source foods and associated quantities in those foods, where available. Applying PhyteByte to the human PPARG gene, we identified irigenin, sesamin, fargesin, and delta-sanshool as putative agonists of PPARG, along with previously identified agonists of this important metabolic regulator. CONCLUSIONS: PhyteByte identifies food-based compounds that are predicted to interact with specific protein targets. The identified relationships can be used to prioritize food compounds for experimental or epidemiological follow-up and can contribute to the rapid development of precision approaches to new nutraceuticals as well as personalized dietary planning.


Assuntos
Análise de Alimentos/métodos , Compostos Fitoquímicos/química , Humanos
6.
PLoS One ; 15(6): e0233963, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-32530961

RESUMO

Eclipta alba L., also known as false daisy, is well known and commercially attractive plant with excellent hepatotoxic and antidiabetic activities. Light is considered a key modulator in plant morphogenesis and survival by regulating important physiological cascades. Current study was carried out to investigate growth and developmental aspects of E. alba under differential effect of multispectral lights. In vitro derived callus culture of E. alba was exposed to multispectral monochromatic lights under controlled aseptic conditions. Maximum dry weight was recorded in culture grown under red light (11.2 g/L) whereas negative effect was observed under exposure of yellow light on callus growth (4.87 g/L). Furthermore, red light significantly enhanced phenolics and flavonoids content (TPC: 57.8 mg/g, TFC: 11.1 mg/g) in callus cultures compared to rest of lights. HPLC analysis further confirmed highest accumulation of four major compounds i.e. coumarin (1.26 mg/g), eclalbatin (5.00 mg/g), wedelolactone (32.54 mg/g) and demethylwedelolactone (23.67 mg/g) and two minor compounds (ß-amyrin: 0.38 mg/g, luteolin: 0.39 mg/g) in red light treated culture whereas stigmasterol was found optimum (0.22 mg/g) under blue light. In vitro based biological activities including antioxidant, antidiabetic and lipase inhibitory assays showed optimum values in cultures exposed to red light, suggesting crucial role of these phytochemicals in the enhancement of the therapeutic potential of E. alba. These results clearly revealed that the use of multispectral lights in in vitro cultures could be an effective strategy for enhanced production of phytochemicals.


Assuntos
Antioxidantes/metabolismo , Eclipta/metabolismo , Eclipta/efeitos da radiação , Hipoglicemiantes/metabolismo , Compostos Fitoquímicos/metabolismo , Antioxidantes/química , Cumarínicos/metabolismo , Eclipta/crescimento & desenvolvimento , Flavonoides/metabolismo , Hipoglicemiantes/química , Luz , Fenóis/metabolismo , Compostos Fitoquímicos/química , Metabolismo Secundário/efeitos da radiação , Técnicas de Cultura de Tecidos
7.
Food Chem ; 330: 127211, 2020 Nov 15.
Artigo em Inglês | MEDLINE | ID: mdl-32540527

RESUMO

With the current agro-food industry demands for more environmentally-friendly production, the use of natural antifungal compounds extracted by emerging technologies led to a sustainable alternative to control microorganisms. Therefore, the present work aimed to: (i) determine antifungal activity against Colletotrichum gloeosporioides and Penicillium italicum of jackfruit leaf extracts obtained by different methods, and (ii) identify compounds by HPLC-DAD-ESI-MS. Microwave (MAE), high-hydrostatic pressure (HHP) and ultrasound (UAE) assisted extractions were tested, followed by fractionation with different polarity solvents. The concentration of total soluble phenols (TSP), tannins (TT) and flavonoids (TF) were determined. Differences not only in the amounts of extracted phytochemicals were found but in the antifungal properties (MAE against P. italicum and HHP against C. gloeosporioides at 5 mg/ml) as well as in the chemical composition determined by HPLC-MS. These results suggest the possible application of jackfruit leaf extracts as a suitable postharvest antifungal treatment.


Assuntos
Antifúngicos/química , Artocarpus/química , Compostos Fitoquímicos/química , Extratos Vegetais/química , Antifúngicos/farmacologia , Colletotrichum/efeitos dos fármacos , Flavonoides/química , Penicillium/efeitos dos fármacos , Fenóis/química , Compostos Fitoquímicos/farmacologia , Extratos Vegetais/farmacologia , Folhas de Planta/química , Taninos/química
8.
Food Chem ; 331: 127293, 2020 Nov 30.
Artigo em Inglês | MEDLINE | ID: mdl-32554311

RESUMO

Wild rice (Zizania spp.), an important aquatic cereal grain in North America and East Asia, has attracted interest worldwide because of its antioxidant activities and health-promoting effects. Wild rice is high in protein, minerals, and vitamins but is low in fat. The phytochemical content (phytosterols, γ-oryzanol, γ-aminobutyric acid, phenolic acids, and flavonoids) of wild rice warrants its development as a functional food. Phenolic acids, flavonoids, and other phytochemicals from Zizania plants have pronounced antioxidant properties, which are associated with prevention of chronic diseases. The health-promoting effects of Zizania plants include alleviation of insulin resistance and lipotoxicity, atherosclerosis prevention, and anti-inflammatory, anti-allergic, anti-hypertensive, and immunomodulatory effects. Here, we provide an overview of Zizania research up to April 2020, focusing on the nutritional constituents, phytochemicals, antioxidant activities, and health-promoting effects of Zizania plants. This review has important implications for further investigations and applications of Zizania plants in medicine and as functional foods.


Assuntos
Antioxidantes/análise , Saúde , Valor Nutritivo , Compostos Fitoquímicos/análise , Poaceae/química , Antioxidantes/química , Compostos Fitoquímicos/química
9.
Food Chem ; 327: 126961, 2020 Oct 15.
Artigo em Inglês | MEDLINE | ID: mdl-32422230

RESUMO

Several genera of the Cactoideae and Pereskioideae subfamilies (Hylocereus, Cereus, Pilosocereus, Stenocereus, Myrtillocactus, Melocactus and Pereskia genera) are often consumed as fresh fruits, processed foods and as functional plants. This review discusses the complete bioactive composition related to the genetic effects, the health properties and the safety of these succulent plants, aiming to provide some contributions for future research. Their cladodes, leaves and fruits are notable for water-soluble compounds, carbohydrate polymers, bioactive nitrogen compounds, polyphenols and some uncommon terpenoids. Mucilage, phenethylamines, flavonol glycosides, betalains and some uncommon triterpenoids have been related to the improvement of human health against general inflammation, metabolic disorders and disturbances of the digestive system. The intensive study of different species (and accessions) of both subfamilies, including their complete chemical profile related to genetic and environmental effects, biological properties and safety could represent a significant contribution to benefit human health and preserve biodiversity.


Assuntos
Cactaceae/química , Compostos Fitoquímicos/química , Frutas/química , Humanos , Folhas de Planta/química , Polifenóis/análise
10.
Food Chem ; 327: 126970, 2020 Oct 15.
Artigo em Inglês | MEDLINE | ID: mdl-32473414

RESUMO

The self-assembly of Tween 80 (T80) micelles loaded with plant-based oregano essential oil (OR) and trans-cinnamaldehyde (TCA) was studied. The effect of different factors, including the surfactant to oil ratio, the presence of sodium chloride, thermal treatment, and dilution on their formation and physicochemical stability was evaluated. The creation of nano-cargos was confirmed by TEM. The self-associated structures had z-average droplet diameters of 92 to 337 nm without any energy input. Whereas addition of 10% (w/v) NaCl prevented the formation of oregano essential oil nano-assemblies of T80, swollen micelles containing TCA were successfully produced. Moreover, the OR or TCA loaded-micelles had only a slight droplet size variation upon thermal treatment. Ultimately, their antibacterial activity analysis against some food pathogens revealed that the encapsulation of OR and TCA within micelles crucially improved their antibacterial activity. These straightforward and cost-effective designed systems can be applicable in different products, including foods and agrochemicals.


Assuntos
Acroleína/análogos & derivados , Origanum/química , Compostos Fitoquímicos/química , Polissorbatos/química , Acroleína/química , Acroleína/farmacologia , Antibacterianos/química , Antibacterianos/farmacologia , Emulsões/química , Micelas , Compostos Fitoquímicos/farmacologia , Salmonella/efeitos dos fármacos
11.
J Food Sci ; 85(6): 1781-1792, 2020 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-32468588

RESUMO

Scented (joha) and black rice indigenous to northeast region (NER) of India are the two among 40,000 varieties of species Oryza sativa, prevalent for its great aroma, medicinal property, and/or equally noteworthy taste. Biochemical and target-based liquid chromatography mass spectrometry (LCMS) analysis was performed to identify and quantify the different phytonutrients from the selected rice grains of those two varieties. Biochemical assay revealed that the selected black rice (Chakhao Amubi) contains ∼1.8-fold higher amount of total phenolic and ∼2.3-fold higher amount of total flavonoid than the scented rice grain (Kon joha). The total starch content was significantly lower in scented rice in comparison to black rice grain. The health beneficial ratio of ω-6/ω-3 essential unsaturated fatty acid is notably better in scented rice grain than black rice grain. The targeted LC-MS/MS analysis confirms the presence of oryzanol and ferulic acid in both the samples. The presence of 4-hydroxy benzoic acid, apigenin, tricin, avenasterol, coumarin, coumaric acid, phenyl alanine, caffeic acid, and α-tocophenol were confirmed in the scented rice, whereas the black rice confirms the presence of protocatechuic acid and dehydroxy myricetin. Further the quantitative analysis showed that the lipids lysophosphatidylinositol (LPI) 16:0, lysophosphatidyl ethanolamine (LPE) 14:0, lysophosphatidyl choline (LPC) 18:2, LPE 18:2, phosphatidyl etanolamine (PE), along with oryzanol, hydroxy docosanoic acid are at least threefold higher in scented rice varietal; whereas, in Chakhao Amubi, the content of petunidin galactoside, LMMPE18:2, PC14:0 are higher than the scented rice grain. In conclusion, different phytonutrients including phenol, polyphenol, and flavonoid have been identified as bioactive phytochemicals in selected rice varietals. PRACTICAL APPLICATION: This work will provide the information about the nutritional benefit of studied rice varietals. The used targeted LC-MS/MS analysis will provide the one-step information about the bioactive phytochemicals. Overall, this study will help to commercialize those varieties with proper scientific evidences.


Assuntos
Cromatografia Líquida de Alta Pressão/métodos , Oryza/química , Compostos Fitoquímicos/química , Extratos Vegetais/química , Espectrometria de Massas em Tandem/métodos , Cor , Valor Nutritivo , Sementes/química
12.
Zhongguo Zhong Yao Za Zhi ; 45(6): 1384-1392, 2020 Mar.
Artigo em Chinês | MEDLINE | ID: mdl-32281352

RESUMO

The chemical compounds in water extract of Spatholobi Caulis were further studied. The compounds were systematically isolated and purified by using various separation and analysis techniques including silica gel, macroporous adsorptive resins and Sephadex LH-20 column chromatographies, as well as reversed phase high-performance liquid chromatography(RP-HPLC). Twenty-three flavonoids and one chromone were identified by the spectroscopic analysis techniques combining their physicochemical properties, they were identified as isoduartin(1), sativan(2), 8-O-methylretusin(3), 7-hydroxydihydroflavone(4), odoratin(5), butesuperin A(6), biochanin A(7), 3'-methoxydaidzein(8), 7-hydroxychromone(9), calycosin(10), naringenin(11), dihydrocajanin(12),(6 aR,11 aR)-maackiain(13), 2'-hydroxygenistein(14),(6 aR,11 aR)-medicarpin-3-O-glucopyranoside(15),(-)-epiafzelechin(16),(-)-catechin(17),(-)-epicatechin(18), 4',8-dimethoxy-7-O-ß-D-glucopyranosylisoflavone(19), ononin(20),(-)-gallocatechin(21), rutin(22), daidzin(23) and sphaerobioside(24). Compounds 4, 6, 8, 9, 11, 12, 14-16, 19 and 22-24 were isolated from Spatholobi Caulis for the first time.


Assuntos
Medicamentos de Ervas Chinesas/química , Fabaceae/química , Flavonoides/química , Compostos Fitoquímicos/química , Cromatografia Líquida de Alta Pressão , Flavonoides/isolamento & purificação , Compostos Fitoquímicos/isolamento & purificação
13.
Zhongguo Zhong Yao Za Zhi ; 45(3): 497-512, 2020 Feb.
Artigo em Chinês | MEDLINE | ID: mdl-32237506

RESUMO

To date, 205 compounds have been identified from different medicinal parts of Eucommia ulmoides, including lignans, iridoid terpenoids, phenols, flavonoids, terpenoids and steroids, polysaccharides and others. Their pharmacological effects include blood pressure-lowering, blood sugar-lowering, blood lipids-regulating, prevention of osteoporosis, anti-inflammation, liver protection, anti-cancer and so on. Their efficacy and mechanism from different parts are slightly different. In this paper, the chemical composition, pharmacological action and mechanism of different parts of E. ulmoides were systematically summarized, as well as its quality control and processing research, to provide theoretical basis for further rational development and utilization of E. ulmoides.


Assuntos
Eucommiaceae/química , Compostos Fitoquímicos/química , Compostos Fitoquímicos/farmacologia , Flavonoides , Iridoides , Lignanas , Fenóis , Plantas Medicinais/química , Polissacarídeos , Esteroides , Terpenos
14.
PLoS One ; 15(4): e0232224, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-32343717

RESUMO

The Amazon region is rich in genetic resources such as oilseeds which have potentially important local commercial exploitation. Despite its high concentration of bioactive compounds, cacay (Caryodendron orinocense Karst.) oil is poorly investigated and explored. Thus, this study focuses on the physicochemical characterization (moisture, density, and saponification, iodine, and acidity values), fatty acid composition as determined by gas chromatograph mass spectrometry (GC/MS), total phenolic content (TPC), and antioxidant activity (DPPH and ABTS radical scavenging assay) of cacay oil, coconut oil and a coconut/cacay oil blend, also known as cacay butter. The antibacterial activity of cacay oil was additionally evaluated. Our study demonstrated that cacay oil presents a high amount of polyunsaturated fatty acid (PUFA) (58.3%) with an emphasis on linoleic acid and a lower acidity value (2.67 ± 0.01 cg I2/g) than butter and coconut oil, indicating a low concentration of free fatty acids. In contrast, cacay butter and coconut oil presented higher saturated fatty acid percentages (69.1% and 78.4%, respectively) and higher saponification values (242.78 and 252.22 mg KOH/g, respectively). The samples showed low moisture and relative density between 912 and 916 kg/m3. The hydrophilic fraction of cacay oil was highlighted in the quantification of TPC (326.27 ± 6.79 mg GAE/kg) and antioxidant capacity in vitro by DPPH radical scavenging assay (156.57 ± 2.25 µmol TE/g). Cacay oil inhibited the growth of Bacillus cereus (44.99 ± 7.68%), Enterococcus faecalis (27.76 ± 0.00%), and Staphylococcus aureus (11.81 ± 3.75%). At long last, this is the first study reporting the physicochemical characterization and bioactive properties of cacay butter. Coconut oil and cacay butter showed great oxidative stability potential due to higher contents of saturated fatty acids. Moreover, cacay oil presents as an alternative source of raw materials for cosmetic and biotechnology industries due to its high concentration of PUFA and for being a rich source of phenolic compounds.


Assuntos
Óleo de Coco/química , Euphorbiaceae/química , Óleos Vegetais/química , Antibacterianos/química , Antibacterianos/farmacologia , Antioxidantes/química , Antioxidantes/farmacologia , Fenômenos Químicos , Óleo de Coco/farmacologia , Ácidos Graxos/química , Ácidos Graxos/farmacologia , Ácidos Graxos Insaturados/química , Ácidos Graxos Insaturados/farmacologia , Depuradores de Radicais Livres/química , Depuradores de Radicais Livres/farmacologia , Testes de Sensibilidade Microbiana , Fenóis/química , Fenóis/farmacologia , Compostos Fitoquímicos/química , Compostos Fitoquímicos/farmacologia , Óleos Vegetais/farmacologia
15.
Zhongguo Zhong Yao Za Zhi ; 45(4): 816-824, 2020 Feb.
Artigo em Chinês | MEDLINE | ID: mdl-32237481

RESUMO

Citrullus colocynthis is widely distributed in the desert regions of the world. C. colocynthis has shown to improve constipation, liver diseases, jaundice, typhoid fever, diabetes and asthma in traditional use. As a kind of exterritorialy medicinal material, C. colocynthis has been used in China and introduced successfully. The main active ingredients of C. colocynthis are cucurbitacin, flavonoids, alkaloids and phenolic acids, which have been proven to have antioxidant, anti-diabetic, anti-pathogenic microorganisms and anti-cancer activities in modern pharmacological research. This paper reviews the traditional application, chemical composition and pharmacological effects of C. colocynthis, and provides reference for the in-depth study for the efficacy and mechanism of different components of C. colocynthis.


Assuntos
Citrullus colocynthis/química , Medicamentos de Ervas Chinesas/farmacologia , Compostos Fitoquímicos/farmacologia , China , Medicamentos de Ervas Chinesas/química , Compostos Fitoquímicos/química
16.
Zhongguo Zhong Yao Za Zhi ; 45(1): 37-51, 2020 Jan.
Artigo em Chinês | MEDLINE | ID: mdl-32237409

RESUMO

The genus Carpesium plants contain many kinds of sesquiterpenes. Up to now, more than 201 sesquiterpene compounds have been isolated and identified, including 86 germacranolides, 30 eudesmanolides, 29 guaianolides, 23 sesquiterpene dimers, 9 pseudoguaianes, 9 carabranolides, 7 xanthanolides, 6 sesquiterpenes without lactone, 1 eremophilane and 1 tricyclo dodecane sesquiterpene. The reported sesquiterpenes possess a series of pharmacological properties, such as anti-tumor, anti-inflammatory, antibacterial, antiparasitic, insecticidal, and antiviral activities. This paper summarizes the 201 chemical structures and biological activities of sesquiterpenes in genus Carpesium, and provides the scientific basis for the further development and utilization.


Assuntos
Asteraceae/química , Sesquiterpenos/farmacologia , Antibacterianos , Anti-Inflamatórios , Lactonas , Estrutura Molecular , Compostos Fitoquímicos/química , Compostos Fitoquímicos/farmacologia , Sesquiterpenos/química
17.
Chem Pharm Bull (Tokyo) ; 68(3): 273-287, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-32115535

RESUMO

Phytochemical analysis of the whole Helleborus foetidus plants identified 28 steroidal glycosides (1-28), including 20 novel spirostanol glycosides (1-20) and a novel furostanol glycoside (21). The structures of the newly identified compounds were elucidated by two-dimensional NMR spectroscopy and hydrolytic cleavage. Compounds 12, 13, and 15 were determined to be spirostanol trisdesmosides bearing sugar moieties at the C-1, -21, and -24 hydroxy groups of the aglycone unit. The isolated compounds were subsequently evaluated for cytotoxic activity against HL-60 human promyelocytic leukemia cells and A549 human lung carcinoma cells. In particular, 7 showed cytotoxic activity against the HL-60 and A549 cells, with IC50 values of 5.9 and 6.6 µM, respectively, whereas 19 was selectively cytotoxic to A549 cells with an IC50 value of 5.5 µM.


Assuntos
Antineoplásicos Fitogênicos/farmacologia , Glicosídeos/farmacologia , Helleborus/química , Compostos Fitoquímicos/farmacologia , Esteroides/farmacologia , Células A549 , Antineoplásicos Fitogênicos/química , Antineoplásicos Fitogênicos/isolamento & purificação , Proliferação de Células/efeitos dos fármacos , Sobrevivência Celular/efeitos dos fármacos , Relação Dose-Resposta a Droga , Ensaios de Seleção de Medicamentos Antitumorais , Glicosídeos/química , Glicosídeos/isolamento & purificação , Células HL-60 , Humanos , Conformação Molecular , Compostos Fitoquímicos/química , Compostos Fitoquímicos/isolamento & purificação , Esteroides/química , Esteroides/isolamento & purificação , Relação Estrutura-Atividade
18.
Food Chem ; 320: 126621, 2020 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-32203838

RESUMO

Purslane (Portulaca oleracea) is a weed naturally found in driveways, lawns, and fields and edible in many regions of Europe, Asia, the Middle East, Africa, and Australia. The purpose of this study was to compare the nutritional and phytochemical components of cultivated and wild purslane. Omega-3 contents of both purslane genotypes were comparable with 189.16 ± 25.52 mg/100 g dry weight and 188.48 ± 6.35 mg/100 g dry weight in cultivated and wild purslane leaves, respectively. Omega-6/omega-3 ratio (1:1-1:3) were low in both genotypes. However, high levels of oxalic acid were observed. Cultivated contained greater amounts of amino acids and vitamins than wild purslane. Of the 184 compounds identified in both genotypes by LC-MS/MS, including phenolic acids, organic acids, flavonoids, alkaloids, and betanin, more than 80 showed greater than two-fold abundance in the wild compared to cultivated purslane. Purslane has the potential to be cultivated as a food ingredient for nutraceutical applications.


Assuntos
Compostos Fitoquímicos/química , Portulaca/química , Cromatografia Líquida de Alta Pressão , Ácidos Graxos Ômega-3/química , Ácidos Graxos Ômega-6/química , Genótipo , Valor Nutritivo , Folhas de Planta/química , Portulaca/genética , Espectrometria de Massas em Tandem
19.
Food Chem ; 319: 126553, 2020 Jul 30.
Artigo em Inglês | MEDLINE | ID: mdl-32197214

RESUMO

The development of natural additives is considered an important research topic. In this work, the use of Cymbopogon citratus (CC) extract as a natural additive for chicken sausage refrigerated was investigated. The CC extract was characterized by electrospray ionization with high-resolution time-of-flight mass spectrometry (ESI-ToF-MS) and the identified compounds were directly related to the antioxidant activity demonstrated by CC in the fresh sausage. In total, 31 phytochemical compounds were identified, and 27 of these still were not described in the literature for CC. The antimicrobial activity showed that CC extract is a potential antibacterial agent. Besides, the results showed that CC extract reduced lipid oxidation compared to synthetic additive. The sensorial characteristics were maintained, demonstrating good acceptability by the consumer. The results confirmed that CC can keep the quality of chicken sausage refrigerated for up to 42 days of storage.


Assuntos
Anti-Infecciosos/química , Antioxidantes/química , Cymbopogon/química , Produtos da Carne/análise , Compostos Fitoquímicos/química , Oxirredução , Extratos Vegetais/química , Espectrometria de Massas por Ionização por Electrospray
20.
Acta Virol ; 64(1): 93-99, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-32180423

RESUMO

Epstein-Barr virus (EBV), a B lymphotrophic herpesvirus associated with various forms of tumors, exhibits several latency phases with expressed EBV nuclear antigen 1 (EBNA-1). In the search of novel EBV-inhibiting targets, to curb the menace of EBV-borne lymphotropic transformations, EBNA-1 protein might serve as a best target for novel  antiviral natural compounds. This study is thus aimed to explore the inhibitory potential of Muuraya koengii bioactive compounds isomahanine, murrayanol and mahanimbine against the EBNA-1 of EBV. 3D structure of EBNA-1 was retrieved from the PDB data bank with further optimization of both the protein and ligands. In-silico inhibitory potential of the selected M. koengii bio-compounds against EBNA-1 as well as the molecular properties of the derivatives against EBNA-1 were assessed. Murrayanol seems to be a potent inhibitory drug to target EBNA-1 with a promising binding energy of -7.21 with two hydrogen bonds. Drug likeliness parameters recorded murrayanol to be the most promising of the tested compounds, followed by isomahanine. Molecular docking evaluations show that EBNA-1 might be inhibited with M. koengii biocompounds. Keywords: EBV; EBNA; M. koengii; in-silico.


Assuntos
Antivirais/química , Antígenos Nucleares do Vírus Epstein-Barr/química , Murraya/química , Compostos Fitoquímicos/química , Herpesvirus Humano 4 , Simulação de Acoplamento Molecular
SELEÇÃO DE REFERÊNCIAS
DETALHE DA PESQUISA