Prediction of Neurological Enzyme Targets for Known and New Compounds with a Model using Galvez's Topological Indices

The 18th International Electronic Conference on Synthetic Organic Chemistry session Computational ChemistryAlzheimer's Disease (AD), Parkinson, and other neurodegenerative diseases are a major health problem nowadays. In this sense, the discovery of new drugs for neurodiseases treatment is a goal of the major importance. Public databases, like ChEMBL, contain a large amount of data about multiplexing assays of inhibitors of a group of enzymes with special relevance in central nervous system. Mono Amino Oxidases (MAOs), Acetyl Cholinesterase (AChE), Glycogen Synthase Kinase-3 (GSK-3), AChE (AChE), and 5α-reductases (5αRs). This data conform an important information source for the application of multi-target computational models. However, almost all the computational models known focus in only one target. In this work, we developed mt-QSAR for inhibitors of 8 different enzymes promising in the treatment of different neurodiseases. In so doing, we combined by the first time the software DRAGON with Moving Average parameters with this objective. The best DRAGON model found predict with very high accuracy, specificity, and sensitivity >90% a very large data set >10000 cases in training and validation series. We also report experimental results about the assay of several 7

Gestión de información universitaria a través de una revista digital basada en plataforma web responsiva

Este artículo forma parte de un trabajo de conclusión de carrera de ingeniería en informática; propone la implementación de una revista digital como medio de información didáctica, de uso fácil y rápido acceso, destinada a una institución de educación superior. En la actualidad, las mismas se han convertido en una alternativa de espacios de actualización para que la universidad pueda mantenerse informada. Los contenidos están dirigidos a la comunidad educativa y se centran en artículos relevantes y pertinentes a distintas carreras. La solución está basada en plataforma web responsiva. Como principal resultado, la función de la revista digital universitaria está ligada a la gestión de la información de las carreras, de modo a que se constituyen como fuente de toma de decisión

Piomiositis no traumàtica recurrent en un jugador de futbol professional

La piomiositis representa una important infecció del múscul esquelètic causada principalment per Staphylococcus aureus. En aquest article es presenta el cas clínic d’un futbolista d’elit amb antecedents de fol·liculitis de repetició i portador crònic de S. aureus que presenta en un període de 6 mesos dos episodis de piomiositis muscular no traumàtica que després de les proves complementàries adequades, el cultiu del microorganisme i el tractament antibiòtic correcte es van resoldre sense complicació

Piomiositis no traumática recurrente en un jugador de fútbol profesional

La piomiositis representa una importante infección del músculo esquelético causada principalmente por Staphylococcus aureus. En este artículo se presenta el caso clínico de un futbolista de élite con antecedentes de foliculitis de repetición y portador crónico de S. aureus que presenta en un período de 6 meses dos episodios de piomiositis muscular no traumática que, tras las pruebas complementarias adecuadas, el cultivo del microorganismo y el tratamiento antibiótico correcto, se resolvieron sin complicación alguna

Sap flow, leaf-level gas exchange and spectral responses to drought in Pinus sylvestris, Pinus pinea and Pinus halepensis

In a climate change scenario, Mediterranean forest species such as pines may be endangered by rising temperatures and reduced precipitation, thus calling for studies on the transpiration and water balance in pines. In this paper, the response of young plants of Pinus sylvestris L., Pinus pinea L. and Pinus halepensis Mill. to different irrigation treatments has been studied. Significant differences were found in water potential, sap flow, leaf-level gas exchange and spectral variables. P. sylvestris had higher pre-dawn and midday water potentials, sap flow rates and leaf-level gas exchange rates compared to the other two species in well-watered conditions. Vapor pressure gradient correlated with stomatal conductance, net assimilation and transpiration, but the association between stomatal conductance and sap flow was weak. The environmental variables more strongly associated with sap flow were solar radiation and reference evapo-transpiration, especially in the well-watered plants, but those associations were weaker in the stressed plants. All three pine species showed the isohydric, drought-avoiding strategy common in the genus Pinus, maintaining relatively high water potentials in dry conditions. Nevertheless, P. halepensis showed a water-saving strategy, with a stomatal closure behavior under drought. Stomatal regulation was less strict in P. sylvestris, closer to a water-spending pattern, while P. pinea showed an intermediate behavior. Significant differences were recorded among species in spectral reflectance in the visible and infra-red regions. Photochemical Reflectance Index, Normalized Difference Vegetation Index and combinations of other ratios permitted the discrimination among the three pine species. These spectral variables showed association with sap flow rate, water potential and leaflevel gas exchange variables. Both cluster analysis and k-means classification discriminated Scots pine and Aleppo pine in two different groups. On the other hand, Stone pine showed differences in spectral behavior depending on the hydric status of the plants. Well-watered Stone pine plants had the same spectral behavior as Scots pine, while the plants subjected to drought stress were closer to Aleppo pine plants in spectral response. These findings may help to quantify the impacts of early and mid-summer water deficit on Mediterranean pines in future climate regimes

Eventos de supercontagio.

Los eventos de supercontagio, aquellos donde se produce una transmisión de la enfermedad a un número de personas mucho mayor al promedio para esa misma enfermedad, presentan un riesgo importante para el manejo de la pandemia de COVID-19 en los próximos meses. En esta nota intentamos avanzar en la caracterización, a partir de un repaso de la literatura existente, de los eventos de supercontagio, entender su relevancia en el marco de la COVID-19, y presentar algunas posibles acciones que, a través del control de este tipo de eventos, podrían ser útiles para el manejo general de la pandemia, en especial en el caso de Uruguay

Exposure to welding fumes increases lung cancer risk among light smokers but not among heavy smokers: evidence from two case-control studies in Montreal.

We investigated relationships between occupational exposure to gas and arc welding fumes and the risk of lung cancer among workers exposed to these agents throughout the spectrum of industries. Two population-based case-control studies were conducted in Montreal. Study I (1979-1986) included 857 cases and 1066 controls, and Study II (1996-2001) comprised 736 cases and 894 controls. Detailed job histories were obtained by interview and evaluated by an expert team of chemist-hygienists to estimate degree of exposure to approximately 300 substances for each job. Gas and arc welding fumes were among the agents evaluated. We estimated odds ratios (ORs) and 95% confidence intervals (CIs) of lung cancer using logistic regression, adjusting for smoking history and other covariates. The two studies provided similar results, so a pooled analysis was conducted. Among all subjects, no significant association was found between lung cancer and gas welding fumes (OR = 1.1; 95% CI = 0.9-1.4) or arc welding fumes (OR = 1.0; 95% CI = 0.8-1.2). However, when restricting attention to light smokers, there was an increased risk of lung cancer in relation to gas welding fumes (OR = 2.9; 95% CI = 1.7-4.8) and arc welding fumes (OR = 2.3; 95% CI = 1.3-3.8), with even higher OR estimates among workers with the highest cumulative exposures. In conclusion, there was no detectable excess risk of lung cancer due to welding fumes among moderate to heavy smokers; but among light smokers we found an excess risk related to both types of welding fumes

Eficacia y seguridad del cannabis medicinal en el tratamiento del dolor de origen oncológico: revisión y metaanálisis

Lorena Vecino: Estudiante de Medicina, Ciclo de Metodología Científica II, Facultad de Medicina, Universidad de la República, Uruguay.-- Joaquín Fontoura: Estudiante de Medicina, Ciclo de Metodología Científica II, Facultad de Medicina, Universidad de la República, Uruguay.-- Valentina Zorrilla: Estudiante de Medicina, Ciclo de Metodología Científica II, Facultad de Medicina, Universidad de la República, Uruguay.-- Jimena Varela: Estudiante de Medicina, Ciclo de Metodología Científica II, Facultad de Medicina, Universidad de la República, Uruguay.-- Erica Nieves: Estudiante de Medicina, Ciclo de Metodología Científica II, Facultad de Medicina, Universidad de la República, Uruguay.-- Sebastián Giménez: Estudiante de Medicina, Ciclo de Metodología Científica II, Facultad de Medicina, Universidad de la República, Uruguay.-- Javier Pintos: Docente supervisor. Departamento de Medicina Preventiva y Social, Facultad de Medicina, Universidad de la República, Montevideo, Uruguay.-- Emails de autores: Lorena Vecino: [email protected]; Joaquín Fontoura: [email protected]; Valentina Zorrilla: [email protected]; Jimena Varela: [email protected]; Erica Nieves: [email protected]; Sebastián Giménez: [email protected] los múltiples síntomas experimentados por los pacientes con cáncer, el dolor es uno de los que más afectan la calidad vida, y existen reportes de que algunos pacientes se benefician del uso de cannabis. El objetivo de este trabajo fue revisar la evidencia científica proveniente de Ensayos Clínicos Aleatorizados (ECAs) para evaluar los efectos del cannabis medicinal en el tratamiento del dolor de origen oncológico. Se definió una estrategia de búsqueda para identificar en la base de datos de PubMed todos los ECAs publicados en los últimos 15 años que compararon el efecto de derivados del cannabis (naturales, sintéticos o combinados) versus placebo en pacientes con dolor relacionado al cáncer. Se realizó un metaanálisis utilizando el programa RevMan. Un total de seis artículos cumplieron con los criterios de inclusión de la pregunta PICO. La calidad de evidencia de estos estudios fue en general pobre. Todos los ECAs reportaron una leve mejoría del dolor a favor del cannabis, aunque solo dos de ellos presentaron resultados estadísticamente significativos. El metaanálisis mostró un efecto muy leve de los derivados del cannabis: un descenso de 0,44 puntos (IC95%:0,25-0,63) en una escala de intensidad del dolor de 0 a 10. Los efectos adversos fueron en general leves y un poco más frecuentes en los grupos que recibieron cannabis. A pesar de que el efecto sobre el dolor de origen oncológico parece ser leve, es necesario identificar los componentes analgésicos del cannabis para desarrollar productos más eficaces para el tratamiento del dolor.Among the multiple symptoms experienced by cancer patients, pain is one of those that most affect the quality of life, and there are anecdotal reports that some patients benefit from the use of cannabis. The objective of this investigation was to review the scientific evidence produced by Randomized Clinical Trials (RCTs) to evaluate the effects of medical cannabis in the treatment of cancer-related pain. A search strategy was defined to identify in the PubMed database all RCTs published in the last 15 years that compared the effect of cannabis derivatives (natural, synthetic or combined) versus placebo in patients with cancer-related pain. A meta-analysis was performed using the RevMan program.Six articles met the inclusion criteria of the PICO question. The quality of evidence from these studies was generally poor. All RCTs reported a slight improvement in pain in favor of cannabis, although only two of them obtained statistically significant results. The metaanalysis showed a slight effect of medical cannabis: a decrease of 0.44 points (95% CI: 0.25-0.63) on a scale of pain intensity from 0 to 10. Adverse effects were generally mild and slightly more frequent in those groups that received cannabis. Despite the fact that the effect on cancer pain appears to be slight, it is necessary to identify the analgesic components of cannabis to develop more effective products for the treatment of pain

Mesotelioma e ocupação. Revisão de casos no Uruguai: 2002-2014

Nurit Stolovas: Profesora Adjunta del Departamento de Salud Ocupacional. Facultad de Medicina – Udelar. Correo electrónico: [email protected] ORCID: 0000-0003-4652-080.-- Javier Pintos: Profesor Adjunto del Departamento de Medicina Preventiva y Social. Facultad de Medicina – Udelar. Correo electrónico: [email protected] ORCID: 0000-0003-4161-4802.-- Ma. Eugenia Luaces: Ex Residente del Departamento de Salud Ocupacional. Facultad de Medicina – Udelar. Correo electrónico: [email protected] ORCID: 0000-0001-7721-6107.-- Claudia Pérez Lorenzo: Ex Residente del Departamento de Salud Ocupacional. Facultad de Medicina – Udelar. Correo electrónico: [email protected] ORCID: 0000-0002-0027-6088.-- Stella de Ben: Profesora Agregada del Departamento de Salud Ocupacional. Facultad de Medicina – Udelar. Correo electrónico: [email protected] ORCID: 0000-0001-8740-1285.-- Fernando Tomasina: Profesor Director del Departamento de Salud Ocupacional. Facultad de Medicina – Udelar. Correo electrónico: [email protected] ORCID: 0000-0002-3010-1289El mesotelioma es considerado en el mundo industrializado a consecuencia de la exposición ocupacional a fibras de asbesto. A nivel país se considera una enfermedad profesional. El objetivo del presente trabajo fue conocer y describir casos de mesotelioma notificados en Uruguay entre los años 2002 y 2014, con énfasis en los aspectos de la exposición ocupacional. El presente trabajo corresponde a un estudio descriptivo retrospectivo, a partir de los casos notificados se recrearon historias médicas enlazando con datos de servicios asistenciales. Se identificaron fuentes de exposición al asbesto en diferentes ocupaciones e industrias en el país. Resultados: fueron notificados 122 casos. Se accedió a la historia clínica en un tercio (47/122). El dato ocupación estaba consignado solo en 27/47, en 3/47 se explicitaba la exposición al asbesto/amianto. Los sectores productivos identificados mayoritariamente correspondieron a transporte, metalúrgico, construcción y limpieza. Se evidenció un registro insuficiente del dato ocupación y de los antecedentes laborales. Ésta información laboral es fundamental para establecer el nexo causal de la exposición en estudio y la condición de enfermedad profesional. La gravedad de la enfermedad y el conocimiento del riesgo derivado de la exposición, laboral, justifica el desarrollo de políticas en salud ocupacional. Es necesario fortalecer la formación de los profesionales de la salud sobre la importancia del trabajo como determinante del proceso salud – enfermedad.Mesothelioma is considered in the industrialized world as a consequence of occupational exposure to asbestos fibers - asbestos. At the country level it is considered an occupational disease. The objective was to know and describe cases of mesothelioma notified in Uruguay between the years 2002 and 2014, with emphasis on aspects of occupational exposure. The present work corresponds to a retrospective descriptive study, from the reported cases medical records were recreated linking with data from healthcare services. Sources of asbestos exposure were identified in different occupations and industries in the country. Results: 122 cases were notified. The medical history was accessed in one third (47/122). The occupation data was only in 27/47, in 3/47 the exposure to asbestos / asbestos was specified. The productive sectors identified mainly corresponded to transportation, metallurgy, construction and cleaning. Insufficient registration of occupation and employment history was evidenced. This work information is essential to establish the causal link between the exposure under study and the occupational disease condition. The severity of the disease and knowledge of the risk derived from exposure occupational, justify the development of occupation health policies. It is necessary to strengthen the training of health professionals on the importance of work as a determinant of the health - disease process.O mesotelioma é considerado no mundo industrializado como consequência da exposição ocupacional às fibras de amianto - o asbesto. Em nível nacional, é considerada uma doença ocupacional. O objetivo foi conhecer e descrever os casos de mesotelioma notificados no Uruguai entre os anos de 2002 a 2014, com ênfase nos aspectos de exposição ocupacional. O presente trabalho corresponde a um estudo descritivo retrospectivo, a partir dos casos relatados, prontuários médicos foram recriados vinculando os a dados de serviços de saúde. Fontes de exposição ao amianto foram identificadas em diferentes ocupações e indústrias no país. Resultados: foram notificados 122 casos. O histórico médico foi acessado em um terço (47/122). Os dados de ocupação foram apenas em 27/47, em 3/47 foi especificada a exposição ao amianto / amianto. Os setores produtivos identificados corresponderam principalmente a transportes, metalurgia, construção e limpeza. Foi evidenciado registro insuficiente de ocupação e histórico de empregos. Essas informações de trabalho são essenciais para estabelecer o nexo causal entre a exposição em estudo e a condição de doença ocupacional. A gravidade da doença e o conhecimento do risco decorrente da exposição ocupacional, justificam o desenvolvimento de políticas de saúde ocupacional. É preciso fortalecer a formação dos profissionais de saúde sobre a importância do trabalho como determinante do processo saúde – doença

Switching to Glycerol Phenylbutyrate in 48 Patients with Urea Cycle Disorders: Clinical Experience in Spain

Clinical practice; Glycerol phenylbutyrate; Urea cycle disordersPráctica clinica; Fenilbutirato de glicerol; Trastornos del ciclo de la ureaPràctica clínica; Fenilbutirat de glicerol; Trastorns del cicle de la ureaBackground and objectives: Glycerol phenylbutyrate (GPB) has demonstrated safety and efficacy in patients with urea cycle disorders (UCDs) by means of its clinical trial program, but there are limited data in clinical practice. In order to analyze the efficacy and safety of GPB in clinical practice, here we present a national Spanish experience after direct switching from another nitrogen scavenger to GPB. Methods: This observational, retrospective, multicenter study was performed in 48 UCD patients (age 11.7 ± 8.2 years) switching to GPB in 13 centers from nine Spanish regions. Clinical, biochemical, and nutritional data were collected at three different times: prior to GPB introduction, at first follow-up assessment, and after one year of GPB treatment. Number of related adverse effects and hyperammonemic crisis 12 months before and after GPB introduction were recorded. Results: GPB was administered at a 247.8 ± 102.1 mg/kg/day dose, compared to 262.6 ± 126.1 mg/kg/day of previous scavenger (46/48 Na-phenylbutyrate). At first follow-up (79 ± 59 days), a statistically significant reduction in ammonia (from 40.2 ± 17.3 to 32.6 ± 13.9 μmol/L, p < 0.001) and glutamine levels (from 791.4 ± 289.8 to 648.6 ± 247.41 μmol/L, p < 0.001) was observed. After one year of GPB treatment (411 ± 92 days), we observed an improved metabolic control (maintenance of ammonia and glutamine reduction, with improved branched chain amino acids profile), and a reduction in hyperammonemic crisis rate (from 0.3 ± 0.7 to less than 0.1 ± 0.3 crisis/patients/year, p = 0.02) and related adverse effects (RAE, from 0.5 to less than 0.1 RAEs/patients/year p < 0.001). Conclusions: This study demonstrates the safety of direct switching from other nitrogen scavengers to GPB in clinical practice, which improves efficacy, metabolic control, and RAE compared to previous treatments.This study was funded by AECOM (Spanish Association for the Study of Inborn Errors of Metabolism). Immedica Pharma Spain funded medical writing support and article processing charges