Structural studies of human purine nucleoside phosphorylase: Towards a new specific empirical scoring function

Human purine nucleoside phosphorylase (HsPNP) is a target for inhibitor development aiming at T-cell immune response modulation. In this work, we report the development of a new set of empirical scoring functions and its application to evaluate binding affinities and docking results. To test these new functions, we solved the structure of HsPNP and 2-mercapto-4(3H)-quinazolinone (HsPNP:MQU) binary complex at 2.7 A resolution using synchrotron radiation, and used these functions to predict ligand position obtained in Clocking Simulations. We also employed molecular dynamics simulations to analyze HsPNP in two conditions, as apoenzyme and in the binary complex form, in order to assess the structural features responsible for stability. Analysis of the Structural differences between systems provides explanation for inhibitor binding. The use of these scoring functions to evaluate binding affinities and molecular docking results may be used to guide future efforts on virtual screening focused on HsPNP. (c) 2008 Elsevier Inc. All rights reserved.4791283

Perfil e grau de dependência de idosos e sobrecarga de seus cuidadores Perfil y grado de dependencia de personas de la tercera edad y sobrecarga de sus cuidadores Profile and degree of dependency of the elderly and overload of their caregivers

OBJETIVO: Analisar o perfil e o grau de dependência de idosos usuários de um Centro de Internação Domiciliar, bem como o perfil e a sobrecarga em seus cuidadores. MÉTODOS: Estudo exploratório e descritivo composto por amostra de 31 idosos e 31 cuidadores. A coleta de dados foi realizada por meio de entrevista no domicílio, com aplicação de questionário semiestruturado, contendo variáveis sóciodemográficas. Para avaliação do grau de dependência dos idosos, foram utilizados o Índice de Katz e Escala de Lawton e a sobrecarga dos cuidadores foi mensurada com base na Escala Zarit Burden Interview. RESULTADOS: Foi revelado percentual elevado de idosos com dependência total para atividades básicas e instrumentais da vida diária, sendo a variável estatisticamente significativa em relação à sobrecarga dos cuidadores e a percepção sobre seu estado de saúde. CONCLUSÃO: A análise das variáveis estudadas pode contribuir para o delineamento de propostas de intervenção baseada nas reais necessidades do grupo estudado.<br>OBJETIVO: Analizar el perfil y el grado de dependencia de personas de la tercera edad usuarios de un Centro de Internamiento Domiciliario, así como el perfil y la sobrecarga en sus cuidadores. MÉTODOS: Estudio exploratorio y descriptivo compuesto por una muestra de 31 personas de la tercera edad y 31 cuidadores. La recolección de datos se realizó por medio de entrevista en el domicilio, con aplicación de un cuestionario semiestructurado, conteniendo variables sociodemográficas. Para la evaluación del grado de dependencia de las personas de la tercera edad, fueron utilizados el Índice de Katz y la Escala de Lawton y la sobrecarga de los cuidadores fue mensurada con base en la Escala Zarit Burden Interview. RESULTADOS: Fue revelado un porcentaje elevado de personas de la tercera edad con dependencia total para actividades básicas e instrumentales de la vida diaria, siendo la variable estadísticamente significativa en relación a la sobrecarga de los cuidadores y la percepción sobre su estado de salud. CONCLUSIÓN: El análisis de las variables estudiadas puede contribuir en el delineamiento de propuestas de intervención basada en las reales necesidades del grupo estudiado.<br>OBJECTIVE: To analyze the profile and degree of dependency of elderly users of a home care center, as well as the profile and burden their caregivers. METHODS: Exploratory and descriptive study with a sample consisting of 31 elderly and 31 caregivers. Data collection was conducted through interviews at home, using a semi-structured questionnaire containing sociodemographic variables. To assess the degree of dependency of the elderly, the Katz Index and Lawton Scale were used, and the burden of caregivers was measured using the Zarit Burden Interview Scale. RESULTS: A high percentage of elderly patients were identified with total dependence for basic and instrumental activities of daily living, with a statistically significant variable in relation to caregiver burden and perception of their health status. CONCLUSION: The analysis of variables can contribute to the design of intervention proposals based on the real needs of the group studied

Revista 2017-1.pdf

between the groups in terms of the area and volume of root canals (P&gt;.05). respect to root canal volume after use of the F2 and F3 instruments. There was before and after instrumentation for both systems. At the 3 cervical levels, the PTG maintained centralization of the preparation on the transition between the F2 and F3 instruments, which did not occur with the PTU. Conclusion The Conventional NiTi (PTU) and Controlled Memory NiTi (PTG) instruments displayed comparable capabilities for shaping the straight mesial root canals of mandibular molars, although the PTG was better than the PTU at maintaining the centralization of the shape in the cervical portion