In a multi-target complex network, the links (Lij) represent the interactions between the drug (di) and the target (tj), characterized by different experimental measures (Ki, Km, IC50, etc.) obtained in pharmacological assays under diverse boundary conditions (cj). In this work, we handle Shannon entropy measures for developing a model encompassing a multi-target network of neuroprotective/neurotoxic compounds reported in the CHEMBL database. The model predicts correctly >8300 experimental outcomes with Accuracy, Specificity, and Sensitivity above 80%–90% on training and external validation series. Indeed, the model can calculate different outcomes for >30 experimental measures in >400 different experimental protocolsin relation with >150 molecular and cellular targets on 11 different organisms (including human). Hereafter, we reported by the first time the synthesis, characterization, and experimental assays of a new series of chiral 1,2-rasagiline carbamate derivatives not reported in previous works. The experimental tests included: (1) assay in absence of neurotoxic agents; (2) in the presence of glutamate; and (3) in the presence of H2O2. Lastly, we used the new Assessing Links with Moving Averages (ALMA)-entropy model to predict possible outcomes for the new compounds in a high number of pharmacological tests not carried out experimentally.
Abstract:In this work, we developed a multi-target model for neuroprotective compounds reported in the CHEMBL database. The model predicted correctly >8300 experimental outcomes with Accuracy, Specificity, and Sensitivity above 80-90% in training and external validation series. This is model can different outcomes for >30 experimental measures in >400 different experimental protocols and related to >150 molecular and cellular targets present in 11 different organisms (including human). After that, we reported by the first time, the synthesis, characterization, and experimental assays of new series of chiral 1,2-rasagiline carbamate derivatives; not reported in previous works. This work is a synopsis of the results presented in our previous paper: Int
Un asunto tan complexo e ao tempo tan transcendente para o país galego como é o da educación no ámbito rural precisa, agora que xa levamos percorrido un treito do século XXI, unha visión retrospectiva e ao tempo crítica que poña o acento nos fitos máis destacables que singularizaron a historia da súa defensa, cos seus avances e retrocesos, desde a década dos 70 do século pasado ata os tempos que vivimos. Neste artigo intentamos pois ofrecer as referencias imprescindibles para caracterizar minimamente aqueles colectivos docentes que enfrontaron, desde o rigor pedagóxico e o compromiso comunitario, o estudo e a defensa do medio rural galego, e que batallaron no plano intelectual e na acción directa nas aulas, por unha educación digna, xusta, pública, de calidade, e adaptada ao contexto rural, ás súas xentes e á súa lingua e cultura propias. Collendo o fío da memoria a través destas catro décadas iremos desvelando e analizando acontecementos, algúns case esquecidos, que permitan dar a entender e poñer de manifesto o relevante papel histórico desempeñado polos diferentes movementos sociais que se configuraron a prol da educación no rural. Entre eles ocupa un posto meritorio a Mesa Galega de Educación no Rural, unha organización nacida como plataforma representativa das reivindicacións dos colectivos profesionais neste eido; con case vinte anos de percorrido ás súas costas, hoxe aínda é escasamente coñecida. En xustiza coa relevancia do seu cometido cómpre que nesta contribución deixemos mínima constancia das súas achegas e da súa traxectoria, que nos ligará coa actualidade, un tempo incerto que nos permite acubillar tanto esperanza
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