Browsing by Author "Lopez-Lira, Claudia"

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    Combined molecular modelling and 3D-QSAR study for understanding the inhibition of NQO1 by heterocyclic quinone derivatives
    (2018) Lopez-Lira, Claudia; Alzate-Morales, Jans H.; Paulino, Margot; Mella-Raipan, Jaime; Salas, Cristian O.; Tapia Apati, Ricardo; Soto-Delgado, Jorge
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    New benzimidazolequinones as trypanosomicidal agents
    (2021) Lopez-Lira, Claudia; Tapia, Ricardo A.; Herrera, Alejandra; Lapier, Michel; Maya, Juan D.; Soto-Delgado, Jorge; Oliver, Allen G.; Lappin, A. Graham; Uriarte, Eugenio
    Herein, the design and synthesis of new 2-phenyl(pyridinyl)benzimidazolequinones and their 5-phenoxy derivatives as potential anti-Trypanosoma cruzi agents are described. The compounds were evaluated in vitro against the epimastigotes and trypomastigote forms of Trypanosoma cruzi. The replacing of a benzene moiety in the naphthoquinone system by an imidazole enhanced the trypanosomicidal activity against Trypanosoma cruzi. Three of the tested compounds (11a-c) showed potent trypanosomicidal activity and compound 11a, with IC50 of 0.65 mu M on the trypomastigote form of T. cruzi, proved to be 15 times more active than nifurtimox. Additionally, molecular docking studies indicate that the quinone derivatives 11a-c could have a multitarget profile interacting preferentially with trypanothione reductase and Old Yellow Enzyme.