A Multivariate QSAR Study on the Anticonvulsant Activity of Acetamido-N-Benzylacetamide Derivatives. Influence of Different Molecular Descriptors

A quantitative structure activity relationship analysis was applied to a library of 51 benzylacetamide derivatives with anticonvulsant activity. The molecular structures of 51 compounds were optimized with the Semiempirical Method PM6 (Parametric Method-6) included in the MOPAC2009 software. The optimized structures of all the examined compounds were represented by 1497 DRAGON-type descriptors. Using multiple linear regression (MLR), the influence of constitutional, topological, electronic, physicochemical and quantum molecular descriptors on the activity was investigated. The validation of models were performed through the leave-one-out cross technique in conjunction with external validation. From different types of molecular descriptors, six new QSAR models were developed. The models using 0D descriptors (constitutional descriptors) and quantum descriptors do not have high statistical quality. The combination of 2D and 3D descriptors produce a model of high predictive quality (Rcal= 0.888; Scal= 0.195; Rval= 0.814; Sval=0.431; Rloo=0.867; Sloo=0.212). Results show the important role of electronic and topologic features of molecules on their anticonvulsant activity in relative to constitutional parameters.Fil: Garro Martinez, Juan Ceferino. Universidad Nacional de San Luis. Departamento de Química; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Duchowicz, Pablo Román. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; ArgentinaFil: Estrada, Mario Rinaldo. Universidad Nacional de San Luis. Departamento de Química; ArgentinaFil: Castro, Eduardo Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; Argentin

Competitive RT-PCR Strategy for Quantitative Evaluation of the Expression of Tilapia (Oreochromis niloticus) Growth Hormone Receptor Type I

Quantization of gene expression requires that an accurate measurement of a specific transcript is made. In this paper, a quantitative reverse transcription-polymerase chain reaction (RT-PCR) by competition for tilapia growth hormone receptor type I is designed and validated. This experimental procedure was used to determine the abundance of growth hormone receptor type I transcript in different tilapia tissues. The results obtained with this developed competitive RT-PCR were similar to real-time PCR results reported recently. This protocol provides a reliable alternative, but less expensive than real-time PCR to quantify specific genes

Nitric oxide synthase-dependent immune response against gram negative bacteria in a crustacean, Litopenaeus vannamei

Nitric oxide (NO) is a short-lived radical generated by nitric oxide synthases (NOS). NO is involved in a variety of functions in invertebrates, including host defense. In previous studies, we isolated and sequenced for the first time the NOS gene from hemocytes of Panulirus argus, demonstrating the inducibility of this enzyme by lipopolysaccharide in vitro e in vivo. Hyperimmune serum was obtained from rabbits immunized with a P. argus eNOS fragment of 31 kDa produced in Escherichia coli, which specifically detected the recombinant polypeptide and the endogenous NOS from lobster hemocytes by western blotting and immunofluorescence. In the present work, we demonstrate that the hyperimmune serum obtained against P. argus NOS also recognizes Litopenaeus vannamei NOS in hemocytes by western blotting and immunofluorescence. Our data also show that while the hemolymph of L. vannamei has a strong antibacterial activity against the Gram negative bacteria Aeromonas hydrophila, the administration of the anti NOS serum reduce the natural bacterial clearance. These results strongly suggest that NOS is required for the shrimp immune defense toward Gram negative bacteria. Therefore, the monitoring of induction of NOS could be an important tool for testing immunity in shrimp farming

QSAR study and molecular design of open-chain enaminones as anticonvulsant agents

Present work employs the QSAR formalism to predict the ED50 anticonvulsant activity of ringed-enaminones, in order to apply these relationships for the prediction of unknown open-chain compounds containing the same types of functional groups in their molecular structure. Two different modeling approaches are applied with the purpose of comparing the consistency of our results: (a) the search of molecular descriptors via multivariable linear regressions; and (b) the calculation of flexible descriptors with the CORAL (CORrelation And Logic) program. Among the results found, we propose some potent candidate open-chain enaminones having ED50 values lower than 10 mg·kg-1 for corresponding pharmacological studies. These compounds are classified as Class 1 and Class 2 according to the Anticonvulsant Selection Project.Instituto de Investigaciones Fisicoquímicas Teóricas y AplicadasFacultad de Ciencias Exacta

Viral and bacterial septicaemic infections modulate the expression of PACAP splicing variants and VIP/PACAP receptors in brown trout immune organs

Copyright © 2015. Published by Elsevier Ltd. Acknowledgements The authors thank Richard Paley, Georgina Rimmer and Tom Hill for their contribution during the brown trout infection challenges carried out in CEFAS-Weymouth biosecurity facilities. Bartolomeo Gorgoglione and Nick G. H. Taylor were supported by a DEFRA contract C3490Peer reviewedPostprin

Validación del puntaje de valoración de la gravedad de la enfermedad pulmonar obstructiva crónica en población colombiana en un servicio de atención primaria

Introduction: Chronic obstructive pulmonary disease (COPD) is a major global health problem causing high morbidity and mortality. Easy to apply, cost-effective, and available COPD severity measures are required in rural areas.Objective: To assess the validity and reliability of the COPD Severity Score (COPDSS) in Colombian patients attended in primary care.Materials and methods: A cross-sectional study was conducted in a sample of 100 patients diagnosed with COPD according to GOLD guidelines. Convergent validity wasassessed by correlating the COPDSS results with other important variables such as those assessed through the Chronic Respiratory Disease Questionnaire (CRQ) and the forced expiratory volume in one second (FEV1).Results: The COPDSS showed a significant correlation with the FEV1 (r=-0.33), with the CRQ (r=-0.57) and its dimensions: Dyspnea (r=0.51), fatigue (r=0.53), emotional function (r=0.43), and disease control (r=0.50). The factor analysis identified a single factor with a cumulative variance of 59.1%. The internal consistency analysis showed an adequate Cronbach’s alpha of 0.76.Conclusions: The use of the COPDSS as an assessment test for COPD patients in Colombia showed adequate validity, reliability, and easy application in primary care.Introducción. La enfermedad pulmonar obstructiva crónica (EPOC) es un importante problema de salud mundial con una alta morbimortalidad. Se requiere la medición de la gravedad de la enfermedad mediante una herramienta de fácil aplicación, bajo costo y fácil disponibilidad en áreas rurales.Objetivo. Evaluar la validez y confiabilidad del puntaje de valoración de la gravedad de la EPOC (Chronic Obstructive Pulmonary Disease Severity Score, COPDSS) en una población de atención primaria en Colombia.Materiales y métodos. Se hizo un estudio de corte transversal en una muestra de 100 pacientes con diagnóstico de EPOC según las guías GOLD. La validez concurrente se evaluó correlacionando los resultados del COPDSS con otras variables de importancia como las del cuestionario sobre la enfermedad respiratoria crónica (Chronic Respiratory Disease Questionnaire, CRQ) y el volumen espiratorio forzado en el primer segundo (Forced Expiratory Volume in one second, FEV1).Resultados. El COPDSS presentó una correlación significativa con el FEV1 (r=-0,33), con el CRQ (r=-0,57) y sus dimensiones: disnea (r=0,51), fatiga (r=0,53), función emocional (r=0,43) y control de la enfermedad (r=0,50). En el análisis factorial se determinó un solo factor con una varianza acumulada de 59,1 %. El análisis de coherencia interna mostró un alfa de Cronbach de 0,76, valor este considerado adecuado.Conclusiones. Se observó que el uso del COPDSS como cuestionario de valoración de la gravedad de pacientes con EPOC en Colombia tenía validez y confiabilidad adecuadas y que es de fácil aplicación en la atención primaria

One health approach to identify research needs on Rhipicephalus microplus ticks in the Americas

We aim to provide a harmonized view of the factors that affect the survival and promote the spread of R. microplus in the Neotropics, approaching its different facets of biology, ecology, distribution, and control. We review the interactions among environmental niche, landscape fragmentation, vegetal coverage (abiotic traits), and the biotic aspects of its ecology (abundance of domesticated or wild competent hosts), proposing emerging areas of research. We emphasize a holistic view integrating an economically and ecologically sustainable control of infestations and transmitted pathogens by R. microplus in the Neotropics. Examples of research link the trends of climate, the composition of the community of hosts, the landscape features, and a tailored management based on ecological grounds. Our view is that factors driving the spread of R. microplus are complex and deeply interrelated, something that has been seldom considered in control strategies. The effects of climate may affect the dynamics of wildlife or the landscape composition, promoting new patterns of seasonal activity of the tick, or its spread into currently free areas. In this paper we encourage a One Health approach highlighting the main aspects governing the components of the tick’s life cycle and its interactions with livestock and wild animals.EEA RafaelaFil: Estrada-Peña, Agustin. Universidad de Zaragoza. Facultad de Veterinaria. Departamento de Patología Animal; EspañaFil: Estrada-Peña, Instituto Agroalimentario de Aragón, Research Group in Emerging Zoonoses; EspañaFil: Rodriguez Mallon, Alina. Center for Genetic Engineering and Biotechnology. Animal Biotechnology Department; CubaFill: Bermudez, Sergio. Instituto Conmemorativo Gorgas de Estudios de la Salud; PanamáFill: Domingos, Ana. Universidade Nova de Lisboa. Instituto de Higiene e Medicina Tropical. Global Health and Tropical Medicine; PortugalFill: Estrada Garcia, Mario Pablo. Center for Genetic Engineering and Biotechnology; CubaFil: Labruna, Marcelo. Universidade de São Paulo. Faculdade de Medicina Veterinaria e Zootecnia. Departamento de Medicina Veterinaria Preventiva e Saude Animal; BrasilFil: Merino, Octavio. University of Tamaulipas. Faculty of Veterinary Medicine; MexicoFil: Nava, Santiago. Instituto Nacional de Tecnología Agropecuaria (INTA). Estación Experimental Agropecuaria Rafaela; ArgentinaFil: Nava, Santiago. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Nava, Santiago. Instituto Nacional de Tecnología Agropecuaria. Instituto de Investigación de la Cadena Láctea (IDICAL); ArgentinaFil: Tarragona, Evelina. Instituto Nacional de Tecnología Agropecuaria (INTA). Estación Experimental Agropecuaria Rafaela. Instituto de Investigación de la Cadena Láctea (IDICAL); ArgentinaFil: Tarragona, Evelina. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigación de la Cadena Láctea (IDICAL); ArgentinaFil: Venzal, José Manuel. Universidad de la República. CENUR Litoral Norte-Salto. Facultad de Veterinaria. Laboratorio de Vectores y Enfermedades Transmitidas; UruguayFil: De La Fuente, José. Instituto de Investigación en Recursos Cinegéticos; EspañaFil: Mosqueda, Juan. Autonomous University of Queretaro. College of Natural Sciences. Immunology and Vaccines Laboratory; MexicoFil: Lleonart Cruz, Ricardo. Instituto de Investigaciones Científicas y Servicios de Alta Tecnología (INDICASAT AIP); PanamáFil: Lleonart Cruz, Ricardo. Sistema Nacional de Investigación (SNI); Panam

QSAR study and molecular design of open-chain enaminones as anticonvulsant agents

Present work employs the QSAR formalism to predict the ED50 anticonvulsant activity of ringed-enaminones, in order to apply these relationships for the prediction of unknown open-chain compounds containing the same types of functional groups in their molecular structure. Two different modeling approaches are applied with the purpose of comparing the consistency of our results: (a) the search of molecular descriptors via multivariable linear regressions; and (b) the calculation of flexible descriptors with the CORAL (CORrelation And Logic) program. Among the results found, we propose some potent candidate open-chain enaminones having ED50 values lower than 10 mg·kg-1 for corresponding pharmacological studies. These compounds are classified as Class 1 and Class 2 according to the Anticonvulsant Selection Project.Instituto de Investigaciones Fisicoquímicas Teóricas y AplicadasFacultad de Ciencias Exacta

One Health Approach to Identify Research Needs on Rhipicephalus microplus Ticks in the Americas

We aim to provide a harmonized view of the factors that affect the survival and promote the spread of R. microplus in the Neotropics, approaching its different facets of biology, ecology, distribution, and control. We review the interactions among environmental niche, landscape fragmentation, vegetal coverage (abiotic traits), and the biotic aspects of its ecology (abundance of domesticated or wild competent hosts), proposing emerging areas of research. We emphasize a holistic view integrating an economically and ecologically sustainable control of infestations and transmitted pathogens by R. microplus in the Neotropics. Examples of research link the trends of climate, the composition of the community of hosts, the landscape features, and a tailored management based on ecological grounds. Our view is that factors driving the spread of R. microplus are complex and deeply interrelated, something that has been seldom considered in control strategies. The effects of climate may affect the dynamics of wildlife or the landscape composition, promoting new patterns of seasonal activity of the tick, or its spread into currently free areas. In this paper we encourage a One Health approach highlighting the main aspects governing the components of the tick’s life cycle and its interactions with livestock and wild animals.Nuestro objetivo es ofrecer una visión armonizada de los factores que afectan a la supervivencia y promueven la propagación de R. microplus en el Neotrópico, abordando sus diferentes facetas de biología, ecología, distribución y control. Revisamos las interacciones entre el nicho ambiental, la fragmentación del paisaje la cobertura vegetal (rasgos abióticos), y los aspectos bióticos de su ecología (abundancia de hospedadores domesticados domésticos o silvestres competentes), proponiendo áreas emergentes de investigación. Hacemos hincapié en una visión holística integrando un control económica y ecológicamente sostenible de las infestaciones y los patógenos transmitidos patógenos transmitidos por R. microplus en el Neotrópico. Los ejemplos de investigación vinculan las tendencias del clima, la composición de la comunidad de hospedadores, las características del paisaje y una gestión adaptada basada en motivos ecológicos. Nuestra opinión es que los factores que impulsan la propagación de R. microplus son complejos y profundamente interrelacionados, algo que rara vez se ha tenido en cuenta en las estrategias de control. Los efectos del Los efectos del clima pueden afectar a la dinámica de la vida silvestre o a la composición del paisaje, promoviendo nuevos patrones de actividad estacional de la garrapata, o su propagación en zonas actualmente libres. En este artículo se fomenta un enfoque de En este documento fomentamos un enfoque de "salud", destacando los principales aspectos que rigen los componentes del ciclo de vida de la garrapata y sus interacciones con el ganado y los animales salvajes. sus interacciones con el ganado y los animales salvajes