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Chemometric and chemoinformatic analyses of anabolic and androgenic activities of testosterone and dihydrotestosterone analogues
ArticleAbstract: Pbkp_redictive quantitative structure-activity relationship (QSAR) models of anabolic and androgenicPalabras claves:Anabolic and androgenic activities, Genetic Algorithm, QSAR model, Quantum and physicochemical molecular descriptor, Testosterone and dihydrotestosterone steroid analoguesAutores:Alvarado Y.J., Alvarez-Ginarte Y.M., Caldera-Luzardo J., Crespo-Otero R., García-De La Vega J.M., Montero-Cabrera L.A., Noheda-Marin P., Ruíz-García J.A., Yovani Marrero-PonceFuentes:googlescopusComparative study of the interaction of ivermectin with proteins of interest associated with SARS-CoV-2: A computational and biophysical approach
ArticleAbstract: The SARS-CoV-2 pandemic has accelerated the study of existing drugs. The mixture of homologs calledPalabras claves:Avermectin, covid-19, Ivermectin, Molecular docking, Molecular dynamic, SARS-COV-2Autores:Alvarado Y.J., Fernández-Materán F.V., González-Paz L.A., Hurtado-León M.L., Jeffreys L.N., Joan R. Vera V., Joan Vera-Villalobos, José Luis Paz, Loroño M.A., Lossada C.A.Fuentes:googlescopusBiological significance of the thermodynamic stability of crispr structures associated with unconventional functions
ArticleAbstract: The clustered regularly interspaced short palindromic repeats (CRISPR) are genetic sequences that coPalabras claves:CRISPR, MFE, transcriptionAutores:Alvarado Y.J., Fernández-Materán F.V., González-Paz L.A., Joan Vera-Villalobos, José Luis Paz, Lossada C.A., Luis S. Moncayo, Parra M.M., Pérez A.E., Portillo E., Romero F.Fuentes:scopusConformational change of ovalbumin induced by surface cavity binding of N-phthaloyl gamma-aminobutyric acid derivative: A study theoretical and experimental
ArticleAbstract: In this work is reported the study of the interaction between ovalbumin protein (OVA) and N-PhthaloyPalabras claves:Binding Studies, Molecular dynamic, Molecular Modeling Docking, Ovalbumin, Spectroscopic StudyAutores:Alvarado Y.J., González-Paz L.A., Joan Vera-Villalobos, José Luis Paz, Luis S. Moncayo, Mendez A., Restrepo J., Rodríguez-Lugo P., Romero F., Vera-Parra E.Fuentes:scopusNucleotide's bilinear indices: Novel bio-macromolecular descriptors for bioinformatics studies of nucleic acids. I. Pbkp_rediction of paromomycin's affinity constant with HIV-1 Ψ-RNA packaging region
ArticleAbstract: A new set of nucleotide-based bio-macromolecular descriptors are presented. This novel approach to bPalabras claves:Footprinting, HIV-1 Ψ-RNA packaging region, multiple linear regression, Nucleic acid and nucleotide bilinear indices, paromomycin, QSPR, TOMOCOMD-CANAR softwareAutores:Alvarado Y.J., Cardoso G.C., Cubillan N., Díaz Y.E., Ortega-Broche S.E., Pérez-Giménez F., Torrens F., Yovani Marrero-PonceFuentes:googlescopusInteraction of the new inhibitor paxlovid (PF-07321332) and ivermectin with the monomer of the main protease SARS-CoV-2: A volumetric study based on molecular dynamics, elastic networks, classical thermodynamics and SPT
ArticleAbstract: The COVID-19 pandemic has accelerated the study of drugs, most notably ivermectin and more recentlyPalabras claves:ANM, covid-19, GNM, Volume fluctuation, Volume Molar, VoronoiAutores:Alvarado Y.J., Fernando Javier Torres, González-Paz L.A., Hurtado-León M.L., Jeffreys L.N., Joan Vera-Villalobos, José Luis Paz, Loroño M.A., Lossada C.A., Olivarez Y., Vera E., Vivas A.Fuentes:scopusSolubility of thiophene-, furan- and pyrrole-2-carboxaldehyde phenylhydrazone derivatives in 2.82 mol̇L <sup>-1</sup> aqueous DMSO at 298.15 K, inhibition of lymphoproliferation and tubulin polymerization: A study based on the scaled particle theory
ArticleAbstract: In this work, the solubilities of nine phenylhydrazone derivatives in water and in 2.82 mol ̇ L -1 aPalabras claves:Lymphoproliferation, Phenylhydrazone derivatives, SOLUBILITY, SPT, Tubulin polimerizationAutores:Alvarado Y.J., Álvarez-Mon M., Baricelli J., Caldera-Luzardo J., Cubillan N., Ferrer-Amado G., Hassanhi M., Mancilla V., Ojeda-Andara J., Rocafull M.A., San Antonio-Sánchez M.E., Thomas L.E., Yovani Marrero-PonceFuentes:scopusStructural deformability induced in proteins of potential interest associated with COVID-19 by binding of homologues present in ivermectin: Comparative study based in elastic networks models
ArticleAbstract: The COVID-19 pandemic has accelerated the study of the potential of multi-target drugs (MTDs). The mPalabras claves:ANM, ENM, GNM, NMA, SARS-COV-2Autores:Alvarado Y.J., Fernández-Materán F.V., González-Paz L.A., Hurtado-León M.L., Jeffreys L.N., Joan Vera-Villalobos, José Luis Paz, Loroño M.A., Lossada C.A.Fuentes:scopusSurface Behavior of BSA/Water/Carbohydrate Systems from Molecular Polarizability Measurements
ArticleAbstract: The effect of the presence of glucose and sucrose on the nonintrinsic contribution to partial molarPalabras claves:Autores:Alvarado Y.J., Fernández-Acuña J., Ferrebuz A., José Luis Paz, Restrepo J., Rodríguez-Lugo P., Romero F., Toro-Mendoza J., Williams Y.Fuentes:scopusSynthesis, crystal structure analysis, small cluster geometries and energy study of (E)-Ethyl-4-(2-(thiofen-2-ylmethylene)hydrazinyl)benzoate
ArticleAbstract: Derivatives hydrazone are attributed interesting pharmacological properties. The compound under studPalabras claves:Crystal structure, Hydrazone, Hydrogen bonds, Semiempirical calculationsAutores:Alvarado Y.J., Atencio R., Bruno-Colmenarez J., Luis E. Seijas, Morales-Toyo M., Restrepo J.Fuentes:scopus