Aplicação de SMILES strings na identificação de grupos funcionais responsáveis pela atividade biológica em compostos medicinais

An efficient and practical approach to identification of important functional groups in the structure of medicinal molecules that are main factor to create biological activity by use of SMILES line notation system is described. Simplicity, high proficiency and fast timing are the main of current method. In this study we aim to find an association between some of the identified functional groups, using SMILES code and their corresponding biological properties in the Canada Drug database. In this study, each functional group and its category which has been tested is presented in the corresponding number of occurrences in the category and the total number is shown as well. The p-value for each functional group – category is calculated using proportion test and R statistical software. The tabular results, the last column indicates the impact of our hypothesis for example, sulfonylurea and 5-thio-1H-tetrazole functional groups are associated with their corresponding category and are significant at 0.05 level. Penicillin and 3-aminopropane-1,2-diol are also significant in the majority of their categories. we have developed a method to create a logical and robust relationship between functional groups and biological activity of molecules. According to existing protocol, finding functional groups responsible for the biological activity of medicinal or chemical compounds is possible.Se describe un enfoque eficiente y práctico para la identificación de grupos funcionales importantes en la estructura de moléculas medicinales que son el factor principal para crear actividad biológica mediante el uso del sistema de notación de líneas SMILES. La simplicidad, la alta competencia y el tiempo rápido son los principales del método actual. En este estudio, buscamos encontrar una asociación entre algunos de los grupos funcionales identificados, utilizando el código SMILES y sus correspondientes propiedades biológicas en la base de datos de Canadá Drug. En este estudio, cada grupo funcional y su categoría que se ha probado se presenta en el número correspondiente de ocurrencias en la categoría y también se muestra el número total. El valor de p para cada categoría de grupo funcional se calcula utilizando la prueba de proporción y el software de estadística R. Los resultados tabulares, la última columna indica el impacto de nuestra hipótesis, por ejemplo, los grupos funcionales sulfonilurea y 5-tio-1H-tetrazol están asociados con su categoría correspondiente y son significativos a nivel 0.05. La penicilina y el 3- aminopropano-1,2-diol también son importantes en la mayoría de sus categorías. hemos desarrollado un método para crear una relación lógica y robusta entre los grupos funcionales y la actividad biológica de las moléculas. De acuerdo con el protocolo existente, es posible encontrar grupos funcionales responsables de la actividad biológica de compuestos medicinales o químicos.Uma abordagem eficiente e prática para a identificação de grupos funcionais importantes na estrutura de moléculas medicinais que são o principal fator para criar atividade biológica pelo uso do sistema de notação de linha SMILES é descrita. Simplicidade, alta proficiência e rapidez no timing são os principais métodos atuais. Neste estudo, pretendemos encontrar uma associação entre alguns dos grupos funcionais identificados, usando o código SMILES e suas propriedades biológicas correspondentes no banco de dados do Canadá. Neste estudo, cada grupo funcional e sua categoria que foi testada é apresentada no número correspondente de ocorrências na categoria e o número total também é mostrado. O valor de p para cada grupo funcional - categoria é calculado usando o teste de proporção e o software estatístico R. Os resultados tabulares, a última coluna indica o impacto da nossa hipótese, por exemplo, grupos funcionais sulfoniluréia e 5-tio-1H-tetrazol estão associados à sua categoria correspondente e são significativos ao nível 0,05. A penicilina e o 3-aminopropano-1,2-diol também são significativos na maioria de suas categorias. Desenvolvemos um método para criar uma relação lógica e robusta entre grupos funcionais e atividade biológica de moléculas. De acordo com o protocolo existente, é possível encontrar grupos funcionais responsáveis pela atividade biológica de compostos medicinais ou químicos

In Honor of Dr. Mehdi Assmar, a Distinguished Researcher at the Pasteur Institute of Iran

Dr. Mehdi Assmar is a prominent researcher in Iran, with a specialization in parasitology and medical entomology, who has done a large amount of research related to the public health in Pasteur Institute of Iran and other institutions or universities for four decades. Most of his research has been on plague, recurrent fever, malaria, toxoplasmosis and leishmaniasis. Discovering the cause of resistance to plague infection among the rodents of the Kurdistan region is one of his important achievements. During his research, he found the extent of plague in the studied areas, the frequency of wild rodents and their external and internal parasites, the susceptibility of different strains of plague strains to antibiotics, and the effectiveness of systemic toxins in controlling the rodent fleas.This paper provides an overview of his scientific activities

Remembering Dr. Valiollah Assefi, the Father of Leprology in Iran

Dr. Valiollah Assefi, an infectious disease specialist borne in 1927, has been one of the prominent researchers in Pasteur Institute in Iran. He played an important role in improving the health of the country during 40 years of his glorious activities. Dr Assefi did huge activities especially in the field of control of leprosy disease in Iran, and was the director of the leprosy control organization in Iran and the World Health Organization consultant for many years. He published numerous articles about the epidemiology and treatment of various infectious diseases in Iran

The Role of Pasteur Institute of Iran in Disinfection of Drinking Water of Tehran (1950-1954)

Since about 100 years ago, the size and population of Tehran have increased significantly and water scarcity has caused some serious problems. Since 1941, owing to the shortages of drinking water, plans have been made to use Tehran’s groundwater in reservoirs, Qanat and rivers; then due to the pollution of these waters, new challenges were risen how to access to the safe water. Following the outbreak of typhoid in Tehran, which caused the contamination of drinking water in 1950, the task of water disinfection in Tehran was given to Pasteur Institute of Iran. In collaboration with the Municipality of Tehran, the surface water of the city was disinfected temporarily by changing the direction of some parts of the Qanats, chlorination of Qanat waters and excavation of shallow wells. Following this action, water treatment was set up in Tehran and then, the water supply piping was carried out. This article reviews the role of Pasteur Institute of Iran in disinfecting the drinking water of Tehran and controlling the typhoid outbreak during 1950-1954