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Computers in Biology and Medicine(1)
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A computational study of steviol and its suggested anticancer activity. A DFT and docking study
ArticleAbstract: In the present, study we analyzed the electronic properties of Steviol, the Stevia rebaudiana metaboPalabras claves:Acceptor-donor, Antiapoptotic, BCL-2, DFT, STEVIOLAutores:Belhassan A., Gerli L., Lorena Maribel Meneses-Olmedo, Mendoza-Huizar L.H., Muñoz P., Salgado G., Sebastian CuestaFuentes:googlescopusESTUDIO ESPECTROSCÓPICO EXPERIMENTAL Y COMPUTACIONAL DE IBUPROFENO Y SUS PRECURSORES DE SÍNTESIS
ArticleAbstract: Se presenta un estudio comparativo de los espectros infrarrojo (IR) y ultravioleta/visible (UV/VIS)Palabras claves:ESPECTROSCOPIA; SPECTROSCOPY, IBUPROFENO; IBUPROFEN, MÉTODOS COMPUTACIONALES; COMPUTATIONAL METHODS, SÍNTESIS; SYNTHESISAutores:Lorena Meneses, Sebastian CuestaFuentes:rraaeIn Silico Searching for Alternative Lead Compounds to Treat Type 2 Diabetes through a QSAR and Molecular Dynamics Study
ArticleAbstract: Free fatty acid receptor 1 (FFA1) stimulates insulin secretion in pancreatic β-cells. An advantage oPalabras claves:Agonits of FFA1, Free fatty acid receptor 1, Molecular docking, molecular dynamics, Type 2 DiabetesAutores:José Luis Paz, Jose R. Mora, Kaunas R., Luis Calle, Marquez E.A., Nicolás Cabrera, Sebastian CuestaFuentes:scopusQSAR Studies, Molecular Docking, Molecular Dynamics, Synthesis, and Biological Evaluation of Novel Quinolinone-Based Thiosemicarbazones against Mycobacterium tuberculosis
ArticleAbstract: In this study, a series of novel quinolinone-based thiosemicarbazones were designed in silico and thPalabras claves:docking, molecular dynamics and cytotoxicity, Mycobacterium tuberculosis, QSAR, quinolinone, thiosemicarbazoneAutores:Abonia R., Bernal A., Coneo A., Insuasty A., Insuasty B., Insuasty D., José Luis Paz, Jose R. Mora, Marquez E.A., Puerto G., Quiroga J., Rubio V., Sebastian Cuesta, Valencia J., Vasquez L., Vidal O.Fuentes:googlescopusStudy of potential inhibition of the estrogen receptor α by cannabinoids using an in silico approach: Agonist vs antagonist mechanism
ArticleAbstract: Breast cancer is the main cancer type with more than 2.2 million cases in 2020, and is the principalPalabras claves:Cannabinoids, Drug Discovery, Estrogen receptor alpha, Molecular modelling, Structure-activity relationshipAutores:Cortés E., Flores-Sumoza M., José Luis Paz, Jose R. Mora, Marquez E.A., Rocha-Roa C., Sebastian CuestaFuentes:googlescopusThe role of organic small molecules in pain management
ReviewAbstract: In this review, a timeline starting at the willow bark and ending in the latest discoveries of analgPalabras claves:Anti-inflammatory drugs, Cannabinoid, Cyclooxygenase, Multitarget drug, neuropathic pain, pain management, QSARAutores:Lorena Maribel Meneses-Olmedo, Lorena Meneses, Sebastian CuestaFuentes:googlescopus