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Chemoinformatics profiling of the chromone nucleus as a MAO-B/A2AAR dual binding scaffold
ArticleAbstract: Background: In the context of the current drug discovery efforts to find disease modifying therapiesPalabras claves:A adenosine receptor 2A, A2A adenosine receptor, 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:googlescopus3,5-Dinitrobenzoate and 3,5-Dinitrobenzamide Derivatives: Mechanistic, Antifungal, and in Silico Studies
ArticleAbstract: Fungal infections, including those caused by Candida spp., are recognized in immunocompromised indivPalabras claves:Autores:Andrade P.N., De Castro R.D., Duarte A.B.S., Patrcia Néris Andrade, Sousa D.P.D., Yunierkis Perez-CastilloFuentes:googlescopusA TOPological Sub-structural Molecular Design (TOPS-MODE)-QSAR approach for modeling the antiproliferative activity against murine leukemia tumor cell line (L1210)
ArticleAbstract: Lately, Quantitative Structure-Activity Relationship (QSAR) studies have been afar used to predict aPalabras claves:anticancer activity, Indolcarbazole, Leukemia antitumor agents, RebeccamycinAutores:García-Mera X., Molina-Ruiz R., Natalia Dias Soeiro Cordeiro M., Perez González M., Rodríguez-Borges J.E., Saíz-Urra L., 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:googlescopusA population-based study of preeclampsia and eclampsia in Ecuador: ethnic, geographical and altitudes differences
ArticleAbstract: Background: In Ecuador eclampsia and preeclampsia were identified as the third cause of maternal deaPalabras claves:altitude, Eclampsia, Ethnic Groups, Montubios, PreeclampsiaAutores:Aquiles R. Henríquez-Trujillo, Eduardo Tejera, Marco Coral-Almeida, Sánchez M.E., 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:googlescopusTheoretical prediction of antiproliferative activity against murine leukemia tumor cell line (L1210). 3D-morse descriptor and its application in computational chemistry)
ArticleAbstract: Cancer is among the top ten causes of death in the world but in spite of the efforts of the pharmacePalabras claves:3D-MoRSE, anticancer activity, Indolocarbazoles derivatives, QSARAutores:García-Mera X., Molina-Ruiz R., Natalia Dias Soeiro Cordeiro M., Perez González M., Rodríguez-Borges J.E., Ruiz R.M., Saíz-Urra L., Yunierkis Perez-CastilloFuentes:googlescopusTrypanocidal mechanism of action and in silico studies of p-coumaric acid derivatives
ArticleAbstract: Trypanosoma species are responsible for chronic and systemic infections in millions of people aroundPalabras claves:antiparasitic activity, cinnamic acid, esters, Natural products, Neglected diseases, Phenylpropanoid, TrypanosomaAutores:De Almeida R.N., de Menezes R.R.P.P.B., Lopes S.P., Martins A.M.C., Monteiro M.L., Sousa D.P.D., Yunierkis Perez-CastilloFuentes:googlescopusTurning deep-eutectic solvents into value-added products for CO2 capture: A desirability-based virtual screening study
ArticleAbstract: Carbon dioxide capture and storage is one of the primary mitigation approaches endorsed by current gPalabras claves:CO absorption 2, CO2 Absorption, deep eutectic solvents, Desirability-based screening and ranking, QSPR, viscosityAutores:Ambure P., Halder A.K., Natalia Dias Soeiro Cordeiro M., Yunierkis Perez-CastilloFuentes:googlescopusStructure–function relationships in the human p‐glycoprotein (Abcb1): Insights from molecular dynamics simulations
ArticleAbstract: P‐glycoprotein (P‐gp) is a transmembrane protein belonging to the ATP binding cassette superfamily oPalabras claves:ABC transporter, conformational changes, molecular dynamics simulations, multidrug resistance (MDR), P-GlycoproteinAutores:Minovski N., Mora Lagares L., Novič M., Yunierkis Perez-CastilloFuentes:googlescopus