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Structural 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 R. Vera V., Joan Vera-Villalobos, José Luis Paz, Loroño M.A., Lossada C.A.Fuentes:googlescopusDiscovering New Tyrosinase Inhibitors by Using In Silico Modelling, Molecular Docking, and Molecular Dynamics
ArticleAbstract: Background/Objectives: This study was used in silico modelling to search for potential tyrosinase prPalabras claves:melanoma, molecular docking, molecular dynamics, QSAR, TyrosinaseAutores:José Luis Paz, Jose R. Mora, Kevin A. OréMaldonado, Loroño M.A., Sebastian CuestaFuentes:scopusBiological Implications of the Intrinsic Deformability of Human Acetylcholinesterase Induced by Diverse Compounds: A Computational Study
ArticleAbstract: Acetylcholinesterase (AChE) is a key enzyme responsible for terminating nerve impulses by hydrolyzinPalabras claves:AChE inhibitors, Alzheimer's disease, structural flexibilityAutores:Alvarado Y.J., González-Paz L.A., Joan Vera-Villalobos, José Luis Paz, Julio Santiago Contreras, Loroño M.A., Lossada C.A., Martinez-Rios F.O., Rodríguez-Lugo P., Vivas A., Yanpiero Balladores, Yovani Marrero-PonceFuentes:scopusInteraction 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:scopusComparative 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:googlescopus