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Computational modeling predicts 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:googlescopusAntifungal activity of n-(4-halobenzyl)amides against candida spp. and molecular modeling studies
ArticleAbstract: Fungal infections remain a high-incidence worldwide health problem that is aggravated by limited thePalabras claves:Anticandidal drugs, antimicrobial activity, Benzoic acid, Candida auris, Candidiasis, cinnamic acid, fungi, Molecular docking, Natural products, plantsAutores:da Silva C.R., Dias C.d.S., Duarte A.B.S., Júnior H.V.N., Montes R.C., Neto J.B.d.A., Sousa D.P.D., Yunierkis Perez-CastilloFuentes:googlescopusAntileishmanial Activity of Cinnamic Acid Derivatives against Leishmania infantum
ArticleAbstract: Leishmania infantum is the etiological agent of visceral leishmaniasis (VL) in South America, the MePalabras claves:antiparasitic activity, cinnamamide, cinnamate, Medicinal Plant, Natural productAutores:Almeida F.S., de Morais M.C., Keesen T.d.S.L., Medeiros G.A., Rocha J.d.C., Sousa D.P.D., Yunierkis Perez-CastilloFuentes:googlescopusAlkyl and aryl derivatives based on p-coumaric acid modification and inhibitory action against leishmania braziliensis and plasmodium falciparum
ArticleAbstract: In low-income populations, neglected diseases are the principal cause of mortality. Of these, leishmPalabras claves:Antiplasmodial activity, Cytotoxicity, Hydroxycinnamic acids, Leishmanicidal activity, Natural products, Neglected diseasesAutores:Lopes S.P., Robledo S.M., Sousa D.P.D., Yepe L.M., Yunierkis Perez-CastilloFuentes:googlescopusArticle bioactive terpenes and their derivatives as potential SARS-CoV-2 proteases inhibitors from molecular modeling studies
ArticleAbstract: The coronavirus disease 2019 (COVID-19) pandemic is caused by a novel coronavirus; the Severe AcutePalabras claves:covid-19, MERS-CoV, Middle East Respiratory Syndrome Virus, Natural products, plants, saponins, SARS-CoV, SARS-COV-2, Terpenoid, virusesAutores:Bezerra Filho C.d.S.M., Diniz L.R.L., Elshabrawy H.A., Sousa D.P.D., Yunierkis Perez-CastilloFuentes:googlescopusDrugs 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:googlescopusGallic Acid Alkyl Esters: Trypanocidal and Leishmanicidal Activity, and Target Identification via Modeling Studies
ArticleAbstract: Eight gallic acid alkyl esters (1–8) were synthesized via Fischer esterification and evaluated for tPalabras claves:gallic acid alkyl ester, Leishmania major, Leishmanicidal activity, Molecular docking, molecular dynamics simulations, Natural products, trypanocidal activity, Trypanosoma bruceiAutores:do Nascimento L.G., Sousa D.P.D., Steverding D., Yunierkis Perez-CastilloFuentes:googlescopusModelos computacionales para el descubrimiento basado en estructura de candidatos a fármacos inhibidores del virus del zika
Bachelor ThesisAbstract: El descubrimiento de fármacos empleando métodos tradicionales de prueba y error constituye un procesPalabras claves:Farmacologia, INTERACCIÓN DE MEDICAMENTOS, MEDICAMENTO-BIOTECNOLOGÍA, SISTEMAS COMPUTACIONALESAutores:Paúl Alexander Beltrán Guzmán, Yendrek Andrés Velásquez López, Yunierkis Perez-CastilloFuentes:rraaeMolecular Modeling and In Vitro Evaluation of Piplartine Analogs against Oral Squamous Cell Carcinoma
ArticleAbstract: Cancer is a principal cause of death in the world, and providing a better quality of life and reduciPalabras claves:alkaloid, ANTICANCER, antitumor, Cytotoxicity, Medicinal Plants, Natural products, Piper, PiplartineAutores:da Fonseca A.C.C., Eduardo Tejera, Machado T.Q., Robbs B.K., Silva R.H.N., Sousa D.P.D., Yunierkis Perez-CastilloFuentes:googlescopusMolecular dynamics and docking simulations as a proof of high flexibility in E. coli FabH and its relevance for accurate inhibitor modeling
ArticleAbstract: Bacterial β-ketoacyl-acyl carrier protein synthase III (FabH) has become an attractive target for thPalabras claves:FabH, Molecular docking, molecular dynamics, Multiple receptor conformations dockingAutores:Froeyen M., Nowé A., Pérez M.A.C., Yunierkis Perez-CastilloFuentes:googlescopus