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HP-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:googlescopusFrom flamingo dance to (desirable) drug discovery: a nature-inspired approach
ReviewAbstract: The therapeutic effects of drugs are well known to result from their interaction with multiple intraPalabras claves:Autores:Aminael Sánchez-Rodríguez, Borges F., Eduardo Tejera, Mangiatordi G.F., Maykel Cruz-Monteagudo, Medina-Franco J.L., Natalia Dias Soeiro Cordeiro M., Nicolotti O., Schürer S.C., Yunierkis Perez-CastilloFuentes:googlescopusFusing docking scoring functions improves the virtual screening performance for discovering Parkinson’s disease dual target ligands
ArticleAbstract: Background: Virtual methodologies have become essential components of the drug discovery pipeline. SPalabras claves:Dual target ligands, Molecular docking, Parkinson’s Disease, Scoring fusionAutores:Aminael Sánchez-Rodríguez, Borges F., Cesar Paz-y-Miño, Eduardo Tejera, Maykel Cruz-Monteagudo, Morales-Helguera A., Natalia Dias Soeiro Cordeiro M., Yunierkis Perez-CastilloFuentes:googlescopusGA(M)E-QSAR: A novel, fully automatic genetic-algorithm-(meta)-ensembles approach for binary classification in ligand-based drug design
ArticleAbstract: Computer-aided drug design has become an important component of the drug discovery process. DespitePalabras claves:Autores:Froeyen M., Lazar C., Nowé A., Pérez M.A.C., Taminau J., 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:googlescopusGene prioritization, communality analysis, networking and metabolic integrated pathway to better understand breast cancer pathogenesis
ArticleAbstract: Consensus strategy was proved to be highly efficient in the recognition of gene-disease association.Palabras claves:Autores:Alejandro Cabrera-Andrade, Andrés López-Cortés, Cesar Paz-y-Miño, Eduardo Tejera, González‐díaz H., Munteanu C.R., Sierra A.P., Stephen Jones Barigye, Yunierkis Perez-CastilloFuentes:googlescopusDegradation of PET Bottles by an Engineered Ideonella sakaiensis PETase
ArticleAbstract: Extensive plastic production has become a serious environmental and health problem due to the lack oPalabras claves:biodegradation, enzyme engineering, IsPETase, Pet, Polyethylene terephthalateAutores:Debut Alexis, KARLA SOFÍA VIZUETE ARMENDÁRIZ, Liliana A. Cerda-Mejía, Maria Eduarda Sevilla, Mario D. Garcia, Mario Daniel García, Santiago Casado, Vinicio Danilo Armijos-Jaramillo, Yunierkis Perez-CastilloFuentes:googlescopusComputational 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:googlescopusCell fishing: A similarity based approach and machine learning strategy for multiple cell lines-compound sensitivity prediction
ArticleAbstract: The prediction of cell-lines sensitivity to a given set of compounds is a very important factor in tPalabras claves:Autores:Aminael Sánchez-Rodríguez, Eduardo Tejera, Iván Carrera Izurieta, Karina Beatríz Jimenes-Vargas, Maykel Cruz-Monteagudo, Vinicio Danilo Armijos-Jaramillo, Yunierkis Perez-CastilloFuentes:googlescopus