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1.
Nucleic Acids Res ; 51(D1): D1212-D1219, 2023 01 06.
Artigo em Inglês | MEDLINE | ID: mdl-36624665

RESUMO

canSAR (https://cansar.ai) is the largest public cancer drug discovery and translational research knowledgebase. Now hosted in its new home at MD Anderson Cancer Center, canSAR integrates billions of experimental measurements from across molecular profiling, pharmacology, chemistry, structural and systems biology. Moreover, canSAR applies a unique suite of machine learning algorithms designed to inform drug discovery. Here, we describe the latest updates to the knowledgebase, including a focus on significant novel data. These include canSAR's ligandability assessment of AlphaFold; mapping of fragment-based screening data; and new chemical bioactivity data for novel targets. We also describe enhancements to the data and interface.


Assuntos
Antineoplásicos , Descoberta de Drogas , Bases de Conhecimento , Pesquisa Translacional Biomédica , Humanos , Algoritmos , Neoplasias/tratamento farmacológico , Neoplasias/genética
2.
Nucleic Acids Res ; 51(D1): D1492-D1502, 2023 01 06.
Artigo em Inglês | MEDLINE | ID: mdl-36268860

RESUMO

We describe the Chemical Probes Portal (https://www.chemicalprobes.org/), an expert review-based public resource to empower chemical probe assessment, selection and use. Chemical probes are high-quality small-molecule reagents, often inhibitors, that are important for exploring protein function and biological mechanisms, and for validating targets for drug discovery. The publication, dissemination and use of chemical probes provide an important means to accelerate the functional annotation of proteins, the study of proteins in cell biology, physiology, and disease pathology, and to inform and enable subsequent pioneering drug discovery and development efforts. However, the widespread use of small-molecule compounds that are claimed as chemical probes but are lacking sufficient quality, especially being inadequately selective for the desired target or even broadly promiscuous in behaviour, has resulted in many erroneous conclusions in the biomedical literature. The Chemical Probes Portal was established as a public resource to aid the selection and best-practice use of chemical probes in basic and translational biomedical research. We describe the background, principles and content of the Portal and its technical development, as well as examples of its applications and use. The Chemical Probes Portal is a community resource and we therefore describe how researchers can be involved in its content and development.


Assuntos
Sondas Moleculares , Proteínas , Descoberta de Drogas , Proteínas/química , Proteínas/metabolismo , Bases de Dados de Compostos Químicos
3.
J Cheminform ; 14(1): 28, 2022 May 28.
Artigo em Inglês | MEDLINE | ID: mdl-35643512

RESUMO

BACKGROUND: Integration of medicinal chemistry data from numerous public resources is an increasingly important part of academic drug discovery and translational research because it can bring a wealth of important knowledge related to compounds in one place. However, different data sources can report the same or related compounds in various forms (e.g., tautomers, racemates, etc.), thus highlighting the need of organising related compounds in hierarchies that alert the user on important bioactivity data that may be relevant. To generate these compound hierarchies, we have developed and implemented canSARchem, a new compound registration and standardization pipeline as part of the canSAR public knowledgebase. canSARchem builds on previously developed ChEMBL and PubChem pipelines and is developed using KNIME. We describe the pipeline which we make publicly available, and we provide examples on the strengths and limitations of the use of hierarchies for bioactivity data exploration. Finally, we identify canonicalization enrichment in FDA-approved drugs, illustrating the benefits of our approach. RESULTS: We created a chemical registration and standardization pipeline in KNIME and made it freely available to the research community. The pipeline consists of five steps to register the compounds and create the compounds' hierarchy: 1. Structure checker, 2. Standardization, 3. Generation of canonical tautomers and representative structures, 4. Salt strip, and 5. Generation of abstract structure to generate the compound hierarchy. Unlike ChEMBL's RDKit pipeline, we carry out compound canonicalization ahead of getting the parent structure, similar to PubChem's OpenEye pipeline. canSARchem has a lower rejection rate compared to both PubChem and ChEMBL. We use our pipeline to assess the impact of grouping the compounds in hierarchies for bioactivity data exploration. We find that FDA-approved drugs show statistically significant sensitivity to canonicalization compared to the majority of bioactive compounds which demonstrates the importance of this step. CONCLUSIONS: We use canSARchem to standardize all the compounds uploaded in canSAR (> 3 million) enabling efficient data integration and the rapid identification of alternative compound forms with useful bioactivity data. Comparison with PubChem and ChEMBL pipelines evidenced comparable performances in compound standardization, but only PubChem and canSAR canonicalize tautomers and canSAR has a slightly lower rejection rate. Our results highlight the importance of compound hierarchies for bioactivity data exploration. We make canSARchem available under a Creative Commons Attribution-ShareAlike 4.0 International License (CC BY-SA 4.0) at https://gitlab.icr.ac.uk/cansar-public/compound-registration-pipeline .

4.
Cienc. tecnol. salud ; 9(2): 166-181, 2022. il 27 c
Artigo em Espanhol | LILACS, DIGIUSAC, LIGCSA | ID: biblio-1415649

RESUMO

En Guatemala, la producción del cultivo de papa se ve afectada por los nematodos Globodera rostochiensis y Globo-dera pallida. La capacidad de ambas especies para formar quistes complica su control y provoca el aumento de sus poblaciones. En Guatemala se reporta la presencia de ambas especies de nematodos por identificación morfológica, sin embargo, no se ha realizado una confirmación molecular. Este es el primer estudio para validar la presencia de ambas especies de nematodos por PCR múltiple y la determinación de la diversidad y estructura genética de las poblaciones utilizando marcadores moleculares. Se realizaron muestreos en cuatro departamentos productores de papa del país. La identificación por PCR se realizó con el cebador común ITS5 y los cebadores PITSr3 específico para G. rostochiensisy PITSp4 para G. pallida. La caracterización molecular se realizó con el marcador AFLP. Se confirmó la presencia de las dos especies de nematodos en los cuatro departamentos. Los índices de diversidad Shannon y heterocigosidad esperada revelaron mayor diversidad genética en G. rostochiensis (H = 0.311, He = 0.301) que en G. pallida (H = 0.035, He = 0.223). Los métodos NJ, DAPC y PCA exhibieron una débil estructura entre las poblaciones de ambas especies de nematodos. Los resultados sugieren un patrón de dispersión desde Quetzaltenango hacia el resto del país, atribuido a la comercialización de semilla contaminada con nematodos. Se sugiere promover programas de socialización sobre los beneficios del uso de semilla certificada, además de constantes monitoreos moleculares para un diagnóstico certero de ambas especies de nematodos.


In Guatemala, potato crop production is affected by the nematodes Globodera rostochiensis and Globodera pallida. The ability of both species to form cysts complicates their control and causes an increase in their populations. In Guatemala, both species of nematodes have been reported by morphological identification; however, molecular confirmation has not been carried out. It is the first study to validate the presence of both nematode species by multiplex PCR and determine the diversity and genetic structure of the populations using molecular markers. Sampling was carried out in four pota-to-producing departments of the country. PCR identification was performed with the common primer ITS5 and the primers PITSr3 specific for G. rostochiensis and PITSp4 for G. pallida. We performed molecular characterization with the AFLP marker. We confirmed the presence of the two nematode species in the four departments. Shannon diversity and expected heterozygosity indices revealed higher genetic diversity in G. rostochiensis (H = 0.311, He = 0.301) than in G. pallida (H = 0.035, He = 0.223). The NJ, DAPC, and PCA methods exhibited weak structure among populations of both nematode species. The results suggest a dispersal pattern from Quetzaltenango to the rest of the country, attributed to the commer-cialization of seed contaminated with nematodes. We suggest promoting socialization programs on the benefits of using certified seeds and constant molecular monitoring for an accurate diagnosis of both species of nematodes.


Assuntos
Variação Genética/genética , Solanum tuberosum/parasitologia , Reação em Cadeia da Polimerase Multiplex/métodos , Nematoides/genética , Parasitos/parasitologia , Doenças das Plantas/parasitologia , Sementes/parasitologia , Estruturas Genéticas/genética , Guatemala , Nematoides/patogenicidade
5.
Nucleic Acids Res ; 49(D1): D1074-D1082, 2021 01 08.
Artigo em Inglês | MEDLINE | ID: mdl-33219674

RESUMO

canSAR (http://cansar.icr.ac.uk) is the largest, public, freely available, integrative translational research and drug discovery knowledgebase for oncology. canSAR integrates vast multidisciplinary data from across genomic, protein, pharmacological, drug and chemical data with structural biology, protein networks and more. It also provides unique data, curation and annotation and crucially, AI-informed target assessment for drug discovery. canSAR is widely used internationally by academia and industry. Here we describe significant developments and enhancements to the data, web interface and infrastructure of canSAR in the form of the new implementation of the system: canSARblack. We demonstrate new functionality in aiding translation hypothesis generation and experimental design, and show how canSAR can be adapted and utilised outside oncology.


Assuntos
Biologia Computacional/métodos , Bases de Dados Genéticas , Descoberta de Drogas/métodos , Bases de Conhecimento , Neoplasias/genética , Pesquisa Translacional Biomédica/métodos , Antineoplásicos/química , Antineoplásicos/uso terapêutico , Mineração de Dados/métodos , Genômica/métodos , Humanos , Internet , Oncologia/métodos , Estrutura Molecular , Neoplasias/metabolismo , Proteômica/métodos , Interface Usuário-Computador
6.
Ciencia Tecnología y Salud ; 8(2): 184-201, 2021. il 27 c
Artigo em Espanhol | LILACS, DIGIUSAC, LIGCSA | ID: biblio-1353111

RESUMO

El fósforo (P) es un elemento esencial en la producción agrícola, pero debido a su compleja dinámica en el suelo, solo una pequeña cantidad es aprovechable para las plantas, ya que la mayoría del P se encuentra en formas insolubles, especialmente, en suelos Andisoles de origen volcánico. Los microorganismos con capacidad solubilizadora de fósforo (MSF) son una alternativa para transformar el P a formas solubles y aprovechables por las plantas; además de brindar múltiples beneficios ambientales. Este trabajo identificó y evaluó in vitro, aislados nativos de Pseudomonas fluorescens Mingula, obtenidos de regiones guatemaltecas con suelos Andisoles que limitan la producción agrícola por la alta fijación de P. Se realizaron cultivos in vitro de la bacteria en medio National Botanical Research Instituteís phosphate growth (NBRIP), con fosfato tricálcico Ca3(PO4)2 como fuente de P insoluble y se midió el índice de solubilización de fósforo (ISF). Un total de 35 aislados de P. fluorescensfueron identificados y confirmados por PCR específico. El análisis de relaciones genéticas con el marcador AFLP, mostró dos grupos: el grupo A incluyó a los aislados con ISF mayores a 1.75, mientras el grupo B incluyó a aquellos con ISF menor a 1.75. La comparación de ISF entre los aislados y departamentos, demostró diferencia estadísticamente significativa (p < .001), con el aislado Pf_33 como más eficiente. Debido al potencial de solubilización de los aislados nativos del grupo genético A (ISF > 1.75), estos se recomiendan para futuras investigaciones que determinen su respuesta a condiciones de campo y estrategias para el desarrollo de biofertilizantes.


Phosphorus (P) is an essential element in agricultural production, but due to its complex dynamics in the soil, only a tiny amount is usable by plants. This is because most P is in insoluble forms, especially in volcanic Andisol soils. Microorganisms with phosphorus solubilizing capacity (MSF) are an alternative for transforming P into soluble forms usable by plants and providing multiple environmental benefits. This research identified and evaluated in vitro native isolates of Pseudomonas fluorescens Mingula, obtained from Guatemalan regions with Andisol soils that limit agricultural production due to high P fixation. In vitro cultures of the bacteria were grown on the National Botanical Research Instituteís phosphate medium (NBRIP), with tricalcium phosphate Ca3(PO4)2 as a source of insoluble P, and We measured the phosphorus solubilization index (PSI). We identified and confirmed a total of 35 isolates of P. fluorescens by specific PCR. Using the AFLP marker, genetic relationship analysis showed two groups: group A included isolates with PSI greater than 1.75, while group B included those with FSI less than 1.75. Comparing of PSI between isolates and departments showed statistically significant dif-ferences (p < 0.001), respectively, with the Pf_33 isolate as the most efficient. Because of the high solubilization potential of the native isolates of genetic group A (FSI > 1.75), We recommend future research to determine their response to field conditions and strategies for biofertilizer development.


Assuntos
Fósforo/análise , Solubilidade , Pseudomonas fluorescens , Qualidade do Solo , Produtos Agrícolas/crescimento & desenvolvimento , Técnicas de Cultura/métodos
7.
Foods ; 9(2)2020 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-32024045

RESUMO

The genus Minthostachys belonging to the Lamiaceae family, and is an important South American mint genus used commonly in folk medicine as an aroma in cooking. The phytochemical-rich samples of the aerial parts of Minthostachys diffusa Epling. were tested for pharmacological and health-promoting bioactivities using in vitro chemical and enzymatic assays. A range of radical scavenging activities of the samples against biological radicals such as nitric oxide and superoxide anion and against synthetic 2,2-diphenyl-1-picrylhydrazyl and 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) radicals, the ferric reducing antioxidant power and the lipid peroxidation inhibition were determined and ranked using the 'relative antioxidant capacity index' (RACI). The ethyl acetate fraction showed the highest RACI of +1.12. Analysis of the various fractions' inhibitory ability against enzymes involved in diabetes (α-amylase and α-glucosidase), and against enzymes associated with Parkinson's or Alzheimer's diseases (acetylcholinesterase and butyrylcholinesterase) also suggested that the ethyl acetate fraction was the most active. Liquid chromatography-tandem mass spectrometry analysis of the ethyl acetate fraction showed more than 30 polyphenolic compounds, including triterpenes. The inhibitory cholinesterase effects of the triterpenes identified from M. diffusa were further analysed by in silico docking of these compounds into 3D-structures of acetylcholinesterase and butyrylcholinesterase. This is the first study on pharmacological activities and phytochemical profiling of the aerial parts of M. diffusa, showing that this plant, normally used as food in South America, is also rich in health-promoting phytochemicals.

8.
Cienc. tecnol. salud ; 7(2): 155-169, 2020. il 27 c
Artigo em Espanhol | LILACS, DIGIUSAC, LIGCSA | ID: biblio-1348111

RESUMO

El aguacate es un cultivo de consumo a nivel mundial, y según teorías recientes, se sugiere a la región de la Sierra Nevada, en California, como centro de origen y, a Guatemala, como uno de los principales centros de domesticación. Mediante caracterizaciones morfológicas se ha reportado una alta diversidad genética en el país, pero debido al comportamiento de polinización cruzada e hibridaciones interraciales, no se ha podido detallar el estado genético actual de la especie. Sin embargo, los marcadores moleculares son útiles para este tipo de estudios al enfocarse en las diferencias a nivel del ADN. Este estudio analizó la diversidad genética del aguacate nativo guatemalteco de siete poblaciones geográficas con el marcador molecular AFLP. Los datos de estructura poblacional mostraron un alto grado de diversidad a nivel de individuos (Ht = 0.1933, Hw = 0.1872) y baja diferenciación entre poblaciones (Hb = 0.0061). Los resultados sugieren una alta tasa de migración que influye directamente en el grado de mezcla genética de los materiales analizados. El bajo índice de estructura poblacional apunta a un alto flujo genético entre las poblaciones, por lo que la especie no presenta mayor riesgo ante la deriva genética, minimizándose el riesgo de pérdida de alelos por fijación. Se sugiere el resguardado del recurso fitogénetico total y no únicamente de materiales promisorios, evitando así el riesgo de erosión genética de la especie y garantizando la permanencia de la diversidad genética, la cual será la base de futuros programas de mejoramiento.


Avocado is one of the most widely consumed crops worldwide and according to new theories, the Sierra Nevada region in California is suggested as the center of origin and Guatemala as one of the main domestication cen-ters. Through morphological characterizations, a high genetic diversity has been reported in the country, but due to the behavior of cross pollination and interracial hybridizations, it has not been possible to detail the current genetic status of the species. Molecular markers are useful for this type of study by focusing on differences at DNA level. This study analyzed the genetic diversity of the native Guatemalan avocado from seven geographic populations with AFLP molecular marker. Population structure data showed a high degree of diversity at the individual level (Ht = 0.1933, Hw = 0.1872) and low differentiation between populations (Hb = 0.0061). The results suggest a high rate of migration that directly influences the degree of genetic mixing of the analyzed materials. The low index of population structure points to a high genetic flow between populations, so that the species does not present a greater risk due to genetic drift, minimizing the risk of loss of alleles due to fixation. The protection of the total genetic resource is suggested, and not only of promising materials, thus avoiding the risk of genetic erosion of the species and guaranteeing the permanence of genetic diversity, which will be the basis of future breeding programs.


Assuntos
Variação Genética , Folhas de Planta/genética , Persea/genética , Análise do Polimorfismo de Comprimento de Fragmentos Amplificados/classificação , Variação Genética/genética , DNA de Plantas/análise , Deriva Genética , Loci Gênicos , Domesticação
9.
Plants (Basel) ; 8(8)2019 Aug 03.
Artigo em Inglês | MEDLINE | ID: mdl-31382601

RESUMO

Oxidative stress is involved in different diseases, such as diabetes and neurodegenerative diseases. The genus Azorella includes about 70 species of flowering plant species; most of them are commonly used as food and in particular as a tea infusion in the Andean region of South America in folk medicine to treat various chronic diseases. Azorella glabra Wedd. aerial parts were firstly analyzed for their in vitro antioxidant activity using different complementary assays. In particular, radical scavenging activity was tested against biological neutral radical DPPH; ferric reducing power and lipid peroxidation inhibitory capacity (FRAP and Beta-Carotene Bleaching tests) were also determined. The Relative Antioxidant Capacity Index (RACI) was used to compare data obtained by different assays. Then, the inhibitory ability of samples was investigated against α-amylase and α-glucosidase enzymes involved in diabetes and against acetylcholinesterase and butyrylcholinesterase enzymes considered as strategy for the treatment of Parkinson's or Alzheimer's diseases. Moreover, the phytochemical profile of the sample showing the highest RACI (1.35) and interesting enzymatic activities (IC50 of 163.54 ± 9.72 and 215.29 ± 17.10 µg/mL in α-glucosidase and acetylcholinesterase inhibition, respectively) was subjected to characterization and quantification of its phenolic composition using LC-MS/MS analysis. In fact, the ethyl acetate fraction derived from ethanol extract by liquid/liquid extraction showed 29 compounds, most of them are cinnamic acid derivatives, flavonoid derivatives, and a terpene. To the best of our knowledge, this is the first report about the evaluation of significant biological activities and phytochemical profile of A. glabra, an important source of health-promoting phytochemicals.

10.
Plants (Basel) ; 8(8)2019 Jul 24.
Artigo em Inglês | MEDLINE | ID: mdl-31344952

RESUMO

An ethnobotanical study was performed to collect information on the use of medicinal plants in Papantla, Veracruz, Mexico. The area has a high number of endemic species, and the social importance of the medicinal plants in the community is essential for public health and the conservation of traditional knowledge. This study identified the medicinal plants currently used, registered traditional knowledge, and documented the patterns of ailments treated in the indigenous communities of Totonacas. A total of 101 medicinal plants belonging to 51 families were described by 85 local informants. Asteraceae was the family with the highest number of plant species identified by these informants. Plant parts are used to treat several ailments, including venomous bites, gastro-intestinal disorders, infectious diseases and other disorders. Informants reported that the most common plant part used was the leaf tissue (55%), and they also took the herbal remedies orally (72%), and decoctions (38%) as well as infusions (29%) were the forms used to prepare these natural remedies. This study provides documentation of medicinal plants used in the Veracruz area of Mexico. Mexican people are still dependent upon medicinal plants, and in order to avoid their loss, certain measures of conservation for medicinal plants are needed.

11.
Plant Physiol Biochem ; 141: 183-192, 2019 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-31174035

RESUMO

The present study is focused on the characterization of yacon [Smallanthus sonchifolius (Poepp. et Endl.) H. Robinson] accessions from different geographic origins (Bolivia, Ecuador, and Peru) by iPBS markers and metabolomic fingerprinting. The results showed that the number of amplified polymorphic fragment levels ranged from 20 up to 27 with a level of polymorphism ranging from 80 to 100%. Five of the iPBS primers used in this study provided no specific banding pattern able to discriminate between the different yacon accessions. However, two iPBS primer pairs were able to separate Peru accessions from those of Ecuador and Bolivia. The UPLC-HRMS/MS-based metabolomic fingerprinting showed highly similar metabolomic fingerprints characterized by the accumulation of high quantities of sesquiterpene lactones and diterpenes, but no apparent geographic clustering. The present study demonstrates that yacon accessions from different geographical origins maintained ex situ (in the Czech Republic) present a rather low chemical and genetic diversity.


Assuntos
Antioxidantes/química , Asteraceae/química , Diterpenos/química , Lactonas/química , Extratos Vegetais/química , Sesquiterpenos/química , Asteraceae/genética , Bolívia , Análise por Conglomerados , República Tcheca , Equador , Variação Genética , Geografia , Glicosilação , Espectrometria de Massas , Metabolômica , Análise Multivariada , Mapeamento de Peptídeos , Peru , Raízes de Plantas/química , Retroelementos
12.
Bol. latinoam. Caribe plantas med. aromát ; 18(1): 42-57, ene. 2019. tab, graf, ilus, mapas
Artigo em Espanhol | LILACS | ID: biblio-1007465

RESUMO

The objective of the this research was to register the current popular therapeutic use of medicinal plants in the Tzotzil indigenous population, in The Highlands of Chiapas, Mexico. The data were collected from 59 informants (39% men, 61% women) between 20 and 86 years old, through a semi-structured questionnaire in the Tzotzil language. From the information collected, a total of 59 species of medicinal plants were registered, belonging to 55 genera and 37 botanical families. The families Asteraceae (with 6 species and UR=51), Lamiaceae (4, UR=37) and Lauraceae (4, UR=21), are were the most representative in the study area. The highest use value index (UVI) was reported for Matricaria chamomilla (UVI=0.42), Mentha sativa (UVI=0.36) and Ruta graveolens (UVI=0.31). According to the informant consensus factor (ICF), the main pathological categories treated are were of the reproductive system (ICF=0.80), respiratory infections (ICF=0.75) and diseases of the digestive system (ICF=0.70). The species reported and their diversity of uses satisfy the needs of families with socioeconomic deficiencies.


El objetivo de la esta investigación fue registrar el uso terapéutico popular actual de plantas medicinales en la población indígena Tzotzil, en Los Altos de Chiapas, México. Los datos fueron recolectados de 59 informantes (39% hombres, 61% mujeres) entre 20 y 86 años, a través de un cuestionario semiestructurado en el idioma Tzotzil. De la información recabada, se registraron un total de 59 especies de plantas medicinales, pertenecientes a 55 géneros y 37 familias botánicas. Las familias Asteraceae (con 6 especies y RU=51), Lamiaceae (4, RU=37) y Lauraceae (4, RU=21), son fueron las más representativas en el área de estudio. El índice de valor de uso más alto (IVU) se informó para Matricaria chamomilla (IVU=0.42), Mentha sativa (IVU=0.36) y Ruta graveolens (IVU=0.31). Según el factor de consenso del informante (FCI), las principales categorías patológicas tratadas son fueron del sistema reproductivo (ICF=0.80), las infecciones respiratorias (ICF=0.75) y las enfermedades del sistema digestivo (ICF=0.70). Las especies reportadas y su diversidad de usos satisfacen las necesidades de las familias con deficiencias socioeconómicas.


Assuntos
Humanos , Masculino , Feminino , Adulto , Pessoa de Meia-Idade , Plantas Medicinais , Asteraceae , Medicina Tradicional , Matricaria , México
13.
Nucleic Acids Res ; 47(D1): D917-D922, 2019 01 08.
Artigo em Inglês | MEDLINE | ID: mdl-30496479

RESUMO

canSAR (http://cansar.icr.ac.uk) is a public, freely available, integrative translational research and drug discovery knowlegebase. canSAR informs researchers to help solve key bottlenecks in cancer translation and drug discovery. It integrates genomic, protein, pharmacological, drug and chemical data with structural biology, protein networks and unique, comprehensive and orthogonal 'druggability' assessments. canSAR is widely used internationally by academia and industry. Here we describe major enhancements to canSAR including new and expanded data. We also describe the first components of canSARblack-an advanced, responsive, multi-device compatible redesign of canSAR with a question-led interface.


Assuntos
Antineoplásicos , Bases de Dados de Produtos Farmacêuticos , Descoberta de Drogas , Bases de Conhecimento , Antineoplásicos/química , Antineoplásicos/uso terapêutico , Humanos , Neoplasias/tratamento farmacológico , Neoplasias/genética , Conformação Proteica , Mapeamento de Interação de Proteínas , Pesquisa Translacional Biomédica , Interface Usuário-Computador
14.
COPD ; 15(4): 317-325, 2018.
Artigo em Inglês | MEDLINE | ID: mdl-30375898

RESUMO

Surveys estimating chronic obstructive pulmonary disease (COPD) prevalence are unevenly distributed in the Americas, which make it difficult to estimate accurately its geographical distribution. The geographic information system inverse distance weighted (IDW) interpolation technique has proved to be an effective tool in spatial distribution estimation of epidemiological variables, even when real data are few or widely spread. We aimed to represent cartographically the COPD prevalence in the Americas by means of a blue to red scale representation of the prevalence data, where different values are represented as different colours, and a population density filtered IDW interpolation mapping, where areas with a population density <0.1 inhabitants/km2 are hidden. We systematically searched for prevalence rates from population surveys of individuals 40 years and older, and a COPD diagnosis confirmed by spirometry. Interpolation maps were obtained for the whole Americas, even from extensive areas lacking real data. Maps showed high prevalence values in the Southeast and Southwest regions of Canada bordering the United States; in several states of the Great Lakes region, and in the lower Missouri, Ohio and Mississippi basins of the United States; in the coastal regions of south-eastern and southern Brazil; Uruguay, and the Argentine Pampas. In general, most of the remaining American regions showed intermediate values of COPD prevalence. IDW interpolation seems to be a suitable tool to visually display estimates of COPD prevalence, and it may be a valuable help to draw attention about the worrying prevalence of this preventable and treatable disease.


Assuntos
Doença Pulmonar Obstrutiva Crônica/epidemiologia , América Central/epidemiologia , Mapeamento Geográfico , Humanos , América do Norte/epidemiologia , Prevalência , América do Sul/epidemiologia , Estados Unidos/epidemiologia , Índias Ocidentais/epidemiologia
15.
Molecules ; 23(10)2018 Sep 29.
Artigo em Inglês | MEDLINE | ID: mdl-30274255

RESUMO

Antioxidant phytochemicals play a key role in oxidative stress control and in the prevention of related disorders, such as premature aging, degenerative diseases, diabetes, and cancer. The aim of this study was to investigate the potential antioxidant activity and the phytochemical profile of Senecio clivicolus Wedd., a perennial shrub, belonging to the Asteraceae family. Despite the wide interest of this family, this specie has not been investigated yet. S. clivicolus aerial parts were extracted with 96% ethanol. Then, the ethanol extract was fractionated by liquid/liquid extraction using an increasing solvents polarity. Total polyphenol and terpenoid contents were measured. Moreover, the antioxidant activity was evaluated by six different complementary in vitro assays. The Relative Antioxidant Capacity Index (RACI) was used to compare data obtained by different tests. The sample showing the highest RACI was subjected to characterization and quantitation of its phenolic composition using LC-MS/MS analysis. The ethyl acetate fraction, investigated by LC-MS/MS analysis, showed 30 compounds, most of them are chlorogenic acid and flavonoid derivatives. To the best of our knowledge, this is the first report about the evaluation of antioxidant activity and phytochemical profile of S. clivicolus, underlying the importance of this species as a source of health-promoting phytochemicals.


Assuntos
Antioxidantes/química , Compostos Fitoquímicos/química , Extratos Vegetais/química , Senécio/química , Antioxidantes/isolamento & purificação , Ácido Clorogênico/análogos & derivados , Ácido Clorogênico/química , Cromatografia Líquida de Alta Pressão/métodos , Flavonoides/química , Óxido Nítrico/química , Oxirredução , Compostos Fitoquímicos/isolamento & purificação , Extratos Vegetais/isolamento & purificação , Polifenóis/química , Solventes , Espectrometria de Massas em Tandem/métodos , Terpenos/química
16.
Artigo em Inglês | MEDLINE | ID: mdl-29317811

RESUMO

Existing data on COPD prevalence are limited or totally lacking in many regions of Europe. The geographic information system inverse distance weighted (IDW) interpolation technique has proved to be an effective tool in spatial distribution estimation of epidemiological variables, when real data are few and widely separated. Therefore, in order to represent cartographically the prevalence of COPD in Europe, an IDW interpolation mapping was performed. The point prevalence data provided by 62 studies from 19 countries (21 from 5 Northern European countries, 11 from 3 Western European countries, 14 from 5 Central European countries, and 16 from 6 Southern European countries) were identified using validated spirometric criteria. Despite the lack of data in many areas (including all regions of the eastern part of the continent), the IDW mapping predicted the COPD prevalence in the whole territory, even in extensive areas lacking real data. Although the quality of the data obtained from some studies may have some limitations related to different confounding factors, this methodology may be a suitable tool for obtaining epidemiological estimates that can enable us to better address this major public health problem.


Assuntos
Sistemas de Informação Geográfica , Doença Pulmonar Obstrutiva Crônica/epidemiologia , Análise Espacial , Adulto , Idoso , Europa (Continente)/epidemiologia , Feminino , Inquéritos Epidemiológicos , Humanos , Masculino , Pessoa de Meia-Idade , Análise Multivariada , Valor Preditivo dos Testes , Prevalência , Doença Pulmonar Obstrutiva Crônica/diagnóstico , Espirometria
17.
Bol. latinoam. Caribe plantas med. aromát ; 16(1): 68-77, ene. 2017. map, tab, graf
Artigo em Inglês | LILACS | ID: biblio-907565

RESUMO

Herbal medicine therapy is traditionally practiced by indigenous healers in Bolivia for hundreds years. Due to the great geographical and ecological diversity, there are thousands of native plants, which are utilized against diverse types of diseases. Nowadays, there is a worldwide problem connected with possible loss of ethnobotany knowledge because of the lack of the interest of young people. In present study, survey focused on medicinal plants used by rural people in Qampaya District, Potosí Department, Bolivia has been done. The data were collected from 60 respondents by semi-structured interviews. The results showed that 60 plant species belonging to 30 families are known as curative plants in this area. The mostly named families were Asteraceae (14 species) followed by Lamiaceae (7 species) and Brassicaceae (4 species). Predominant health problems treated by these plants are urological problems and gastro-intestinal disorders. The most frequently used plant parts were leaves and the preparation is mostly done as infusion. Even though the knowledge of using medical plants plays important role in life of Bolivian rural people, which use plants as medicines against various types of diseases, this study showed that 25 percent of respondents didn’t know any medicinal plants. On the other hand 40 percent of asked people have known 6 or more medicinal plant species.


La terapia de la medicina herbolaria es practicada, tradicionalmente, por los curanderos indígenas en Bolivia, desde hace cientos de años. Gracias a la gran diversidad geográfica y ecológica, hay miles de plantas nativas, que se utilizan para el tratamiento de diferentes tipos de enfermedades. Hoy en día, hay un problema mundial relacionado con la posible pérdida del conocimiento etnobotánico, esto debido a la falta de interés de las nuevas generaciones. El presente estudio descriptivo, mediante una encuesta, fue enfocado a las plantas medicinales utilizadas por la población rural del Distrito Qampaya, Departamento de Potosí, Bolivia. Los datos se obtuvieron de 60 informantes mediante una encuesta semiestructurada. Los resultados mostraron que 60 especies de plantas medicinales. pertenecientes a 30 familias botánicas, son conocidas en el área de intervención. Las familias botánicas, más importantes de uso medicinal son Asteraceae (14 especies), seguido de Lamiaceae (7 especies) y Brassicaceae (4 especies). Los problemas predominantes de salud, tratados con estas especies, son los urológicos y trastornos gastrointestinales. La parte de la planta más utilizada son las hojas y la forma más común de uso es en infusión. A pesar de que el conocimiento sobre la utilización de las plantas medicinales, juega un papel importante en la vida de la población rural de Bolivia, quienes utilizan las plantas medicinales para el tratamiento de diversos tipos de enfermedades, este estudio mostró que el 25 por ciento de los encuestados no tienen conocimiento sobre la utilidad medicinal de ninguna especie vegetal. Por otro lado, el 40 por ciento de los informantes conocen 6 o más especies de plantas medicinales.


Assuntos
Humanos , Etnobotânica , Plantas Medicinais , Bolívia , Matricaria , Mentha piperita , Zona Rural , Inquéritos e Questionários , Tabaco
18.
Artigo em Inglês | MEDLINE | ID: mdl-26421049

RESUMO

Background/Aims. Products of Lepidium meyenii Walp. (maca) are touted worldwide as an alimentary supplement to enhance fertility and restore hormonal balance. Enhancing properties of maca on semen parameters in animals were previously reported by various authors, but we present to the best of our knowledge the first double-blind, randomized, placebo-controlled pilot trial in men. The aim of this study was to evaluate the effects of maca on semen parameters and serum hormone levels in healthy adult men. Methods. A group of 20 volunteers aged 20-40 years was supplied by milled hypocotyl of maca or placebo (1.75 g/day) for 12 weeks. Negative controls of semen were compared to the samples after 6 and 12 weeks of maca administration; negative blood controls were compared to the samples after 12 weeks of treatment. Results. Sperm concentration and motility showed rising trends compared to placebo even though levels of hormones did not change significantly after 12 weeks of trial. Conclusion. Our results indicate that maca possesses fertility enhancing properties in men. As long as men prefer to use alimentary supplement to enhance fertility rather than prescribed medication or any medical intervention, it is worth continuing to assess its possible benefits.

19.
Int J Mol Sci ; 16(8): 17696-718, 2015 Jul 31.
Artigo em Inglês | MEDLINE | ID: mdl-26263984

RESUMO

The present study aimed to investigate the phytochemical profile of leaf methanol extracts of fourteen Smallanthus sonchifolius (yacon) landraces and their antioxidant, anticholinesterase and antidiabetic activities that could lead to the finding of more effective agents for the treatment and management of Alzheimer's disease and diabetes. For this purpose, antioxidant activity was assessed using different tests: ferric reducing ability power (FRAP), 2,2-diphenyl-1-picryl hydrazyl (DPPH), nitric oxide (˙NO) and superoxide (O2˙-) scavenging and lipid peroxidation inhibition assays. Anticholinesterase activity was investigated by quantifying the acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitory activities, whereas antidiabetic activity was investigated by α-amylase and α-glucosidase inhibition tests. To understand the contribution of metabolites, phytochemical screening was also performed by high performance liquid chromatography-diode array detector (HPLC-DAD) system. Among all, methanol extract of PER09, PER04 and ECU44 landraces exhibited the highest relative antioxidant capacity index (RACI). ECU44 was found to be rich in 4,5-di-O-caffeoylquinic acid (CQA) and 3,5-di-O-CQA and displayed a good α-amylase and α-glucosidase inhibition, showing the lowest IC50 values. Flavonoids, instead, seem to be involved in the AChE and BChE inhibition. The results of this study revealed that the bioactive compound content differences could be determinant for the medicinal properties of this plant especially for antioxidant and antidiabetic activities.


Assuntos
Inibidores da Colinesterase/farmacologia , Flavonoides/química , Compostos Fitoquímicos/administração & dosagem , Extratos Vegetais/administração & dosagem , Doença de Alzheimer/tratamento farmacológico , Antioxidantes/química , Antioxidantes/farmacologia , Asteraceae/química , Inibidores da Colinesterase/química , Cromatografia Líquida de Alta Pressão , Diabetes Mellitus/tratamento farmacológico , Flavonoides/isolamento & purificação , Inibidores de Glicosídeo Hidrolases/química , Humanos , Hipoglicemiantes/química , Hipoglicemiantes/farmacologia , Peroxidação de Lipídeos/efeitos dos fármacos , Óxido Nítrico/química , Óxido Nítrico/metabolismo , Fenóis/química , Compostos Fitoquímicos/química , Extratos Vegetais/química , Folhas de Planta/química , alfa-Amilases/antagonistas & inibidores
20.
Bol. latinoam. Caribe plantas med. aromát ; 13(2): 126-134, mar. 2014. mapas, tab
Artigo em Inglês | LILACS | ID: lil-767355

RESUMO

An ethnobotanical survey based on semistructured questionnaires among 35 farmers was carried out in two regions in Tigray, northern Ethiopia. Ethiopia is one of the poorest countries in the world with low level of medical care; therefore indigenous knowledge of medicinal plants is highly priced information and can be a good source of income to family or community. In total, 58 plant species were detected, while 48 plants, and 44 genera, belonging to 27 families have been identified as medicinal. Vernacular, as well as scientific names, plant part used, way of use and modes of preparation and application are included. Majority of plants were used for various gastrointestinal disorders, sprains treatment or to heal bronchitis, however, interesting aspects are the uses of plants to cure bilirubinemia, prostate disorders, syphylis and milk ingest disorders.


En dos regiones del Tigray (Tigré), en el norte de Etiopía se realizó un estudio etnobotánico, basado en un cuestionario semiestructurado, entre 35 agricultores. Etiopía es uno de los países más pobres del mundo con un bajo nivel de atención médica, por lo tanto, el conocimiento autóctono de las plantas medicinales es una información muy valiosa y puede ser una buena fuente de ingresos para la familia o comunidad. En total, se detectaron 85 especies de plantas, de las cuales fueron identificadas como plantas medicinales 48 especies y 44 géneros pertenecientes a 27 familias botánicas. En el estudio están incluídos los nombres vernaculares y científicos, como también parte de la planta utilizada y su forma de uso, modos de preparación y aplicación. La mayoría de las plantas se usan para el tratamiento de diversos trastornos gastrointestinales y esguinces o para curar la bronquitis; sin embargo, son interesantes los usos reportados para tratar la bilirrubinemia, dolencias de la próstata, sífilis y la intolerancia a la lactosa.


Assuntos
Humanos , População Negra , Etnobotânica , Medicina Tradicional , Plantas Medicinais , Etiópia , Inquéritos e Questionários
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