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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:googlescopusEnsemble-based modeling of chemical compounds with antimalarial activity
ArticleAbstract: Background: Malaria or Paludism is a tropical disease caused by parasites of the Plasmodium genre anPalabras claves:Antimalarial activity, Ensemble modeling, Genetic Algorithms, Majority vote, Malaria disease, QSARAutores:Benfenati E., Borges F., Caballero-Alfonso A.Y., Eduardo Tejera, Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M., Vinicio Danilo Armijos-Jaramillo, Yunierkis Perez-CastilloFuentes:scopusEvolutionary algorithm-based generation of optimum peptide sequences with dengue virus inhibitory activity
ArticleAbstract: Background: There is currently no effective dengue virus (DENV) therapeutic. We aim to develop a genPalabras claves:Dengue Virus, Genetic Algorithm, MM-GBSA, peptide-protein docking, PeptidesAutores:García-De La Vega J.M., Garit J., Stephen Jones Barigye, Yunierkis Perez-CastilloFuentes:scopusFrom a coenzyme-like mechanism to homochirality
ArticleAbstract: Inspired in a coenzyme-like behavior, an alternative mechanism to induce homochirality within a smalPalabras claves:Autocatalysis, Co-enzymatic reactions, Homochirality, Stochastic modelingAutores:José Suárez-Lezcano, Leyva Y., Martin O., Yovani Marrero-Ponce, Yunierkis Perez-CastilloFuentes:scopusFrom 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 through consensus strategy, enrichment methodologies analysis, and networking for osteosarcoma pathogenesis
ArticleAbstract: Osteosarcoma is the most common subtype of primary bone cancer, affecting mostly adolescents. In recPalabras claves:Communality analysis, early recognition, Gene prioritization, Osteosarcoma, pathogenesisAutores:Alejandro Cabrera-Andrade, Andrés López-Cortés, Cesar Paz-y-Miño, Eduardo Tejera, Gabriela Fernanda Jaramillo-Koupermann, González‐díaz H., Munteanu C.R., Sierra A.P., Yunierkis Perez-CastilloFuentes:scopusGene 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:googlescopus