Browsing by Subject "3D-QSAR"

Now showing items 1-4 of 4

    • Antiproliferative and proapoptotic activities of aza-annulated naphthoquinone analogs 
      Suárez Rozas, Cristian; Simpson, Sebastián; Fuentes Retamal, Sebastián; Catalán, Mabel; Ferreira, Jorge; Theoduloz, Cristina; Mella, Jaime; Cabezas, David; Cassels Niven, Bruce; Yáñez, Claudia; Castro Castillo, Vicente (Elsevier Ltd, 2019)
      © 2018 1,4-Naphthoquinone derivatives have been widely documented with regard to their biological properties, and particularly their anticancer activities. In the 9,10-anthraquinone family, aza-annulation involving one of ...
    • Design, synthesis, binding and docking-based 3D-QSAR studies of 2-pyridylbenzimidazoles - A new family of ... 
      Mella Raipán, Jaime A.; Lagos, Carlos F.; Recabarren Gajardo, Gonzalo Iván; Espinosa Bustos, Christian; Romero Parra, Javier; Pessoa Mahana, Hernán; Iturriaga-Vásquez, Patricio; Pessoa Mahana, Carlos David (2013)
      A series of novel 2-pyridylbenzimidazole derivatives was rationally designed and synthesized based on our previous studies on benzimidazole 14, a CB1 agonist used as a template for optimization. In the present series, 21 ...
    • Structure-activity relationships based on 3D-QSAR CoMFA/CoMSIA and design of aryloxypropanol-amine agonists ... 
      Lorca, Marcos; Morales Verdejo, César; Vásquez Velásquez, David; Andrades Lagos, Juan Andrés; Campanini Salinas, Javier; Soto Delgado, Jorge; Recabarren Gajardo, Gonzalo; Mella, Jaime (MDPI, 2018)
      The wide tissue distribution of the adrenergic 3 receptor makes it a potential target for the treatment of multiple pathologies such as diabetes, obesity, depression, overactive bladder (OAB), and cancer. Currently, there ...
    • Understanding the comparative molecular field analysis (CoMFA) in terms of molecular quantum similarity and ... 
      Morales Bayuelo, Alejandro; Matute Morales, Ricardo; Caballero, Julio (Springer, 2015)
      The three-dimensional quantitative structure-activity relationship (3D QSAR) models have many applications, although the inherent complexity to understand the results coming from 3D-QSAR arises the necessity of new insights ...