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Chemoinformatics profiling of the chromone nucleus as a MAO-B/A<inf>2A</inf>AR dual binding scaffold
ArticleAbstract: Background: In the context of the current drug discovery efforts to find disease modifying therapiesPalabras claves:A adenosine receptor 2A, chemoinformatics, Chromones, Dual-target binder, Monoamine Oxidase B, Parkinson’s DiseaseAutores:Aminael Sánchez-Rodríguez, Borges F., Cesar Paz-y-Miño, Eduardo Tejera, Maykel Cruz-Monteagudo, Morales-Helguera A., Natalia Dias Soeiro Cordeiro M., Perera-Sardiña Y., Yunierkis Perez-CastilloFuentes:googlescopusA desirability-based multi objective approach for the virtual screening discovery of broad-spectrum anti-gastric cancer agents
ArticleAbstract: Gastric cancer is the third leading cause of cancer-related mortality worldwide and despite advancesPalabras claves:Autores:Aminael Sánchez-Rodríguez, Borges F., Eduardo Tejera, Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M., Pham-The H., Thu H.L.T., Yunierkis Perez-CastilloFuentes:googlescopusConsensus strategy in genes prioritization and combined bioinformatics analysis for preeclampsia pathogenesis
ArticleAbstract: Background: Preeclampsia is a multifactorial disease with unknown pathogenesis. Even when recent stuPalabras claves:Communality analysis, Consensus analysis, early recognition, Gene periodization, Microarray analysis, pathogenesis, PreeclampsiaAutores:Aminael Sánchez-Rodríguez, Borges F., Cesar Paz-y-Miño, Eduardo Tejera, Germán Burgos, Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M., Rebelo I., Sánchez M.E., Yunierkis Perez-CastilloFuentes:googlescopusFrom flamingo dance to (desirable) drug discovery: a nature-inspired approach
ReviewAbstract: The therapeutic effects of drugs are well known to result from their interaction with multiple intraPalabras claves:Autores:Aminael Sánchez-Rodríguez, Borges F., Eduardo Tejera, Mangiatordi G.F., Maykel Cruz-Monteagudo, Medina-Franco J.L., Natalia Dias Soeiro Cordeiro M., Nicolotti O., Schürer S.C., Yunierkis Perez-CastilloFuentes:googlescopusFusing docking scoring functions improves the virtual screening performance for discovering Parkinson’s disease dual target ligands
ArticleAbstract: Background: Virtual methodologies have become essential components of the drug discovery pipeline. SPalabras claves:Dual target ligands, Molecular docking, Parkinson’s Disease, Scoring fusionAutores:Aminael Sánchez-Rodríguez, Borges F., Cesar Paz-y-Miño, Eduardo Tejera, Maykel Cruz-Monteagudo, Morales-Helguera A., Natalia Dias Soeiro Cordeiro M., Yunierkis Perez-CastilloFuentes:googlescopusEfficient and biologically relevant consensus strategy for Parkinson's disease gene prioritization
ArticleAbstract: Background: The systemic information enclosed in microarray data encodes relevant clues to overcomePalabras claves:Co-expression networks, Consensus strategy, early recognition, Gene prioritization, Parkinson's DiseaseAutores:A. Sanchez Rodriguez, Aminael Sánchez-Rodríguez, Borges F., Cesar Paz-y-Miño, Eduardo Tejera, Maykel Cruz-Monteagudo, Morales-Helguera A., Natalia Dias Soeiro Cordeiro M., Rebelo I., Y. Perez Castillo, Yunierkis Perez-CastilloFuentes:googlerraaescopusLigand-Based Virtual Screening Using Tailored Ensembles: A Prioritization Tool for Dual A<inf>2A</inf> Adenosine Receptor Antagonists / Monoamine Oxidase B Inhibitors
ArticleAbstract: Background: Virtual Screening methodologies have emerged as efficient alternatives for the discoveryPalabras claves:A2A adenosine receptors antagonist, Dual-target drugs, Ensemble modeling, MAO-B inhibitors, QSAR, Virtual ScreeningAutores:Aminael Sánchez-Rodríguez, Ancede-Gallardo E., Borges F., Cagide F., Cesar Paz-y-Miño, Eduardo Tejera, Maykel Cruz-Monteagudo, Morales-Helguera A., Natalia Dias Soeiro Cordeiro M., Teijeira M., Yunierkis Perez-CastilloFuentes:googlescopusProbing the hypothesis of SAR continuity restoration by the removal of activity cliffs generators in QSAR
ReviewAbstract: In this work we report the first attempt to study the effect of activity cliffs over the generalizatPalabras claves:Activity cliffs, Activity cliffs generators, chemoinformatics, Machine learning, QSAR, Virtual ScreeningAutores:Aminael Sánchez-Rodríguez, Borges F., Cesar Paz-y-Miño, Contreras-Posada Z., Eduardo Tejera, Maykel Cruz-Monteagudo, Medina-Franco J.L., Natalia Dias Soeiro Cordeiro M., Perera-Sardiña Y., Yunierkis Perez-CastilloFuentes:googlescopusStudy 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:googlescopusSystemic QSAR and phenotypic virtual screening: chasing butterflies in drug discovery
ReviewAbstract: Current advances in systems biology suggest a new change of paradigm reinforcing the holistic naturePalabras claves:Autores:Aminael Sánchez-Rodríguez, Borges F., Eduardo Tejera, Maykel Cruz-Monteagudo, Medina-Franco J.L., Schürer S.C., Yunierkis Perez-CastilloFuentes:googlescopus