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Solís Gutiérrez, RobertoGómez Jeria, Juan[A Density Functional Theory Study Of The Relationships Between Electronic Structure And Metabotropic Glutamate Receptor Subtype 5 Affinity Of 2- Amino- And 2-Halothiazole Derivatives]

Gómez Jeria, Juan[A DFT Study of the Inhibition of the Papain-like Protease (PLpro) from the SARS Coronavirus by a Group of 4-Piperidinecarboxamide Derivatives]

A ZINDO/1 quantum-chemical structure-affinity relationship study with the KPG model is presented for the in vitro interaction of a group of classical, indole-derived and aminoalkylindole-derived cannabinoids with CB and CB2 receptors. From this work the following conclusions are obtained. CB and ...


Gómez-Jeria, Juan S.Soto-Morales, FranciscoRivas, JorgeSotomayor, Alejandra[A theoretical structure-affinity relationship study of some cannabinoid derivatives]A theoretical structure-affinity relationship study of some cannabinoid derivatives

The beta(3) adrenergic receptor is raising as an important drug target for the treatment of pathologies such as diabetes, obesity, depression, and cardiac diseases among others. Several attempts to obtain selective and high affinity ligands have been made. Currently, Mirabegron is the only availa...


Apablaza, G.Montoya, L.Morales-Verdejo, C.Mellado, M.Cuellar, M.Lagos, C.F.Soto-Delgado, J.Chung, H.Pessoa-Mahana, C.D.Mella, J.[2D-QSAR and 3D-QSAR/CoMSIA studies on a series of (R)-2-((2-(1H-Indol-2-yl)ethyl)amino)-1-phenylethan-1-ol with human β3-adrenergic activity]2D-QSAR and 3D-QSAR/CoMSIA studies on a series of (R)-2-((2-(1H-Indol-2-yl)ethyl)amino)-1-phenylethan-1-ol with human β3-adrenergic activity

The application of ligand-based drug design methods such as quantitative structure-activity relationship (QSAR) is a mandatory issue in the design of luteinizing hormone-releasing hormone (LHRH) receptor antagonists because the lack of information on the molecular structure for this target protei...


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