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Computational 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:googlescopusBacterial FabH: Towards the Discovery of New Broad-Spectrum Antibiotics
Book PartAbstract: The emergence of drug resistant strains of important human pathogens has made urgent the necessity oPalabras claves:drug design, FabH, FabH inhibitors, FASAutores:Froeyen M., Nowé A., Pérez M.A.C., Yunierkis Perez-CastilloFuentes:googlescopusAn alignment-free approach for eukaryotic ITS2 annotation and phylogenetic inference
ArticleAbstract: The ITS2 gene class shows a high sequence divergence among its members that have complicated its annPalabras claves:Autores:Agüero-Chapin G., Aminael Sánchez-Rodríguez, Antunes A., Hidalgo-Yanes P.I., Marchal K., Molina-Ruiz R., Vasconcelos V., 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:googlescopusA putative antimicrobial peptide from Hymenoptera in the megaplasmid pSCL4 of Streptomyces clavuligerus ATCC 27064 reveals a singular case of horizontal gene transfer with potential applications
ArticleAbstract: Streptomyces clavuligerus is a Gram-positive bacterium that is a high producer of secondary metaboliPalabras claves:Antimicrobial peptide, Horizontal gene transfer, Hymenoptera, pSCL4, Streptomyces clavuligerus ATCC 27064Autores:Daniela Santander-Gordón, Eduardo Tejera, Sebastián Ayala-Ruano, Vinicio Danilo Armijos-Jaramillo, 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: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:googlescopusLarvicidal Activity of Cinnamic Acid Derivatives: Investigating Alternative Products for Aedes aegypti L. Control
ArticleAbstract: The mosquito Aedes aegypti transmits the virus that causes dengue, yellow fever, Zika and ChikungunyPalabras claves:CHIKUNGUNYA, cinnamic ester, DENGUE, Larvicidal activity, Medicinal Plants, Mosquitoes, Natural products, Yellow fever, zikaAutores:Araújo M.O., Nunes F.C., Oliveira L.H.G., Sousa D.P.D., Yunierkis Perez-CastilloFuentes:googlescopusHP-Lattice QSAR for dynein proteins: Experimental proteomics (2D-electrophoresis, mass spectrometry) and theoretic study of a Leishmania infantum sequence
ArticleAbstract: The toxicity and inefficacy of actual organic drugs against Leishmaniosis justify research projectsPalabras claves:2D-electrophoresis, BLAST, complex networks, Dyneins, HP-Lattice model, Leishmania infantum, Mass spectrometry, Parasites proteomics, QSAR, Sequence alignment, Spectral momentsAutores:Bolas-Fernández F., Chou K.C., Dea-Ayuela M.A., González‐díaz H., Meneses-Marcel A., Ubeira F.M., Yunierkis Perez-CastilloFuentes:googlescopusShadowcaster: Compositional methods under the shadow of phylogenetic models to detect horizontal gene transfers in prokaryotes
ArticleAbstract: Horizontal gene transfer (HGT) plays an important role for evolutionary innovations within prokaryotPalabras claves:Horizontal gene transfer, Hybrid approach, Implicit phylogenetic model, Parametric methodAutores:Agüero-Chapin G., Aminael Sánchez-Rodríguez, Antunes A., Daniela Sánchez-Soto, Eduardo Tejera, Vinicio Danilo Armijos-Jaramillo, Yunierkis Perez-CastilloFuentes:scopus