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3,5-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., 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 multi-objective approach for anti-osteosarcoma cancer agents discovery through drug repurposing
ArticleAbstract: Osteosarcoma is the most common type of primary malignant bone tumor. Although nowadays 5-year surviPalabras claves:Drug repositioning, Machine learning, Multi-objective model, Osteosarcoma, Virtual ScreeningAutores:Alejandro Cabrera-Andrade, Andrés López-Cortés, Eduardo Tejera, Gabriela Fernanda Jaramillo-Koupermann, González‐díaz H., Munteanu C.R., Sierra A.P., Yunierkis Perez-CastilloFuentes:scopusA 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:scopusA 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:googlescopusChemoinformatics profiling of the chromone nucleus as a MAO-B/A<inf>2A</inf>AR dual binding scaffold
ArticleAbstract: Background: In the context of the current drug discovery efforts to find disease modifying therapiesPalabras claves:A adenosine receptor 2A, 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:googlescopusCompScore: Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus Scoring
ArticleAbstract: Consensus scoring has become a commonly used strategy within structure-based virtual screening (VS)Palabras claves:Autores:Aminael Sánchez-Rodríguez, Borges F., Eduardo Tejera, Karina Beatríz Jimenes-Vargas, Mario González-Rodríguez, Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M., Stellamaris Sotomayor-Burneo, Vinicio Danilo Armijos-Jaramillo, Yunierkis Perez-CastilloFuentes:scopusComputational chemistry comparison of stable/nonstable protein mutants classification models based on 3d and topological indices
ArticleAbstract: In principle, there are different protein structural parameters that can be used in computational chPalabras claves:Protein stability, Protein structure, Spectral moments, topological indicesAutores:González‐díaz H., Podda G., Uriarte E., Yunierkis Perez-CastilloFuentes:googlescopusComputational 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:googlescopus