Synthesis and pharmacophore modeling of naphthoquinone derivatives with cytotoxic activity in human promyelocytic leukemia HL-60 cell line

…, RG Díaz-Peñate, A Estévez-Braun…

文献索引：Perez-Sacau, Elisa; Diaz-Penate, Raquel G.; Estevez-Braun, Ana; Ravelo, Angel G.; Garcia-Castellano, Jose M.; Pardo, Leonardo; Campillo, Mercedes Journal of Medicinal Chemistry, 2007 , vol. 50, # 4 p. 696 - 706

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被引用次数: 91

摘要

Catalyst/HypoGen pharmacophore modeling approach and three-dimensional quantitative structure-activity relationship (3D-QSAR)/comparative molecular similarity indices analysis (CoMSIA) methods have been successfully applied to explain the cytotoxic activity of a set of 51 natural and synthesized naphthoquinone derivatives tested in human promyelocytic leukemia HL-60 cell line. The computational models have facilitated the identification of ...