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Cinnamomum sp. and Pelargonium odoratissimum as the Main Contributors to the Antibacterial Activity of the Medicinal Drink Horchata: A Study Based on the Antibacterial and Chemical Analysis of 21 Plants
ArticleAbstract: Horchata, a herbal infusion drink from Ecuador containing a mixture of medicinal plants, has been rePalabras claves:Antibacterial activity, biofilm, Cinnamomumsp, HORCHATA, Natural products, Pelargonium odoratissimumAutores:Antonio Machado, Diana Celi, Eduardo Tejera, José M. Alvarez-Suarez, Paulina Fernandez-SotoFuentes:scopusComputational modeling pbkp_redicts potential effects of the herbal infusion “horchata” against COVID-19
ArticleAbstract: Bioactive plant-derived molecules have emerged as therapeutic alternatives in the fight against thePalabras claves:covid-19, docking, Gene Ontology, Herbal infusion, Horchata infusion, molecular dynamics, SARS-COV-2Autores:Ana Lucía Noboa, Eduardo Tejera, Giampieri F., Gisselle Toscano, José M. Alvarez-Suarez, Valeria Ochoa-Herrera, Yunierkis Perez-CastilloFuentes:googlescopusA multi-objective approach for drug repurposing in preeclampsia
ArticleAbstract: Preeclampsia is a hypertensive disorder that occurs during pregnancy. It is a complex disease with uPalabras claves:Drugs repurposing, Machine learning, Multi-objective models, PreeclampsiaAutores:Alejandro Cabrera-Andrade, Andrea Chamorro, Eduardo Tejera, Sánchez M.E., Yunierkis Perez-CastilloFuentes:scopusCritical Review of Plant-Derived Compounds as Possible Inhibitors of SARS-CoV-2 Proteases: A Comparison with Experimentally Validated Molecules
ReviewAbstract: Ever since coronavirus disease 2019 (COVID-19), caused by SARS-CoV-2, was declared a pandemic on MarPalabras claves:Autores:Diana Celi, Eduardo Tejera, Giampieri F., José M. Alvarez-Suarez, Paul Cueva, Yasel Guerra, Yunierkis Perez-CastilloFuentes:scopusApplication of desirability-based multi(bi)-objective optimization in the design of selective arylpiperazine derivates for the 5-HT<inf>1A</inf> serotonin receptor
ArticleAbstract: The multiobjective optimization technique based on the desirability estimation of several interrelatPalabras claves:Arylpiperazine, Desirability, drug design, Inverse QSAR, Multiobjective optimization, Serotonin receptorAutores:Antonio Machado, Eduardo Tejera, Maykel Cruz-Monteagudo, Rebelo I.Fuentes:scopusDesirability-based multi-objective QSAR in drug discovery
ReviewAbstract: The adjustment of multiple criteria in hit-to-lead identification and lead optimization is a major aPalabras claves:Desirability theory, Drug Discovery, MOOP-DESIRE methodology, Multi-objective QSARAutores:Borges F., Dominguez E.R., Eduardo Tejera, Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusFusing 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:googlescopusEnsemble-based modeling of chemical compounds with antimalarial activity
ArticleAbstract: Background: Malaria or Paludism is a tropical disease caused by parasites of the Plasmodium genre anPalabras claves:Antimalarial activity, Ensemble modeling, Genetic Algorithms, Majority vote, Malaria disease, QSARAutores:Benfenati E., Borges F., Caballero-Alfonso A.Y., Eduardo Tejera, Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M., Vinicio Danilo Armijos-Jaramillo, Yunierkis Perez-CastilloFuentes:scopusDrugs Repurposing Using QSAR, Docking and Molecular Dynamics for Possible Inhibitors of the SARS-CoV-2 M<sup>pro</sup> Protease
ArticleAbstract: Wuhan, China was the epicenter of the first zoonotic transmission of the severe acute respiratory syPalabras claves:covid-19, Drugs repurposing, molecular dynamics, QSAR, SARS-COV-2Autores:Alejandro Cabrera-Andrade, Andrés López-Cortés, Eduardo Tejera, Munteanu C.R., Yunierkis Perez-CastilloFuentes:googlescopusMultioutput Perturbation-Theory Machine Learning (PTML) Model of ChEMBL Data for Antiretroviral Compounds
ArticleAbstract: Retroviral infections, such as HIV, are, until now, diseases with no cure. Medicine and pharmaceuticPalabras claves:antiretroviral compounds, BIG DATA, CHEMBL, Machine learning, perturbation theoryAutores:Eduardo Tejera, Emilia Vásquez-Domínguez, González‐díaz H., Vinicio Danilo Armijos-JaramilloFuentes:googlescopus