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Design of novel antituberculosis compounds using graph-theoretical and substructural approaches
ReviewAbstract: The increasing resistance of Mycobacterium tuberculosis to the existing drugs has alarmed the worldwPalabras claves:Antituberculosis, Discriminant analysis, Fragment contributions, Graph-theoretical descriptors, Massive screeningAutores:Alejandro Speck-Planche, de Paulo-Emerenciano V., López A., Pérez E., Scotti M.T., Uriarte E.Fuentes:scopusDesigning novel antitrypanosomal agents from a mixed graph-theoretical substructural approach
ArticleAbstract: Chagas disease is nowadays the most serious parasitic health problem. This disease is caused by TrypPalabras claves:Antitrypanosomal, Discriminant analysis, Fragment contributions, Graph theoretical descriptors, Massive screeningAutores:Alejandro Speck-Planche, de Paulo-Emerenciano V., López A., Pérez E., Scotti M.T., Uriarte E.Fuentes:scopusMonoamino oxidase A: An interesting pharmacological target for the development of multi-target QSAR
ArticleAbstract: With the significant increase of life expectancy of populations in societies today, the importance oPalabras claves:drug design, MAO-A inhibitors, Monoamine oxidase, Multi-target model, neurodegenerative diseases, QSARAutores:Alejandro Speck-Planche, Matos M.J., Molina-Pérez E., Orallo F., Santana L., Sobarzo-Sánchez E., Uriarte E., Yáñez M.Fuentes:scopusSimple stochastic fingerprints towards mathematical modeling in biology and medicine 2. Unifying Markov model for drugs side effects
ArticleAbstract: Most of present mathematical models for biological activity consider just the molecular structure. IPalabras claves:Back-projection analysis, Drugs side effects, linear discriminant analysis, Markov ModelAutores:González‐díaz H., Maykel Cruz-Monteagudo, Uriarte E.Fuentes:scopusPbkp_redicting multiple drugs side effects with a general drug-target interaction thermodynamic Markov model
ArticleAbstract: Most of present molecular descriptors just consider the molecular structure. In the present articlePalabras claves:Drugs side effects, Markov Model, ThermodynamicsAutores:González‐díaz H., Maykel Cruz-Monteagudo, Molina R., Tenorio E., Uriarte E.Fuentes:scopusStudy of a Selected Series of 3- and 4-Arylcoumarins as Antifungal Agents against Dermatophytic Fungi: T. rubrum and T. mentagrophytes
ArticleAbstract: The main etiological agents in dermatophytosis of human skin and nails are Trichophyton, in particulPalabras claves:Antifungal agents, Arylcoumarins, heterocycles, Synthesis.Autores:Borges F., Carmen-Lucía López-Cisneros, Guardado E., Maria Elena Cazar Ramirez, Matos M.J., Natalia Bailon-Moscoso, Uriarte E.Fuentes:googlescopusSynthesis and study of a series of 3-arylcoumarins as potent and selective monoamine oxidase B inhibitors
ArticleAbstract: New series of 6-substituted-3-arylcoumarins displaying several alkyl, hydroxyl, halogen, and alkoxyPalabras claves:Autores:Matos M.J., Santana L., Terán C., Uriarte E., Viña D., Yunierkis Perez-CastilloFuentes:googlescopus