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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: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:googlescopusSynthesis of Coumarin and Homoisoflavonoid Derivatives and Analogs: The Search for New Antifungal Agents
ArticleAbstract: A set of twenty-four synthetic derivatives, with coumarin and homoisoflavonoid cores and structuralPalabras claves:Antimicrobial, Candida, coumarin, drug, flavonoid, mechanism of action, Medicinal Plant, Molecular docking, Natural productsAutores:Alves D.d.N., De Castro R.D., Ferreira A.R., Sousa D.P.D., Yunierkis Perez-CastilloFuentes:googlescopusSynthetic Cinnamides and Cinnamates: Antimicrobial Activity, Mechanism of Action, and In Silico Study
ArticleAbstract: The severity of infectious diseases associated with the resistance of microorganisms to drugs highliPalabras claves:amides, Antimicrobial, Candida, cinnamic acid, esters, mechanism of action, Medicinal Plant, Molecular docking, Natural product, S. AureusAutores:de Morais M.C., de Oliveira Lima E., Sousa D.P.D., Yunierkis Perez-CastilloFuentes:googlescopus