Browsing by Author "Paulino, Margot"
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- ItemCombined 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
- ItemExpanding the chemical space of aryloxy-naphthoquinones as potential anti-Chagasic agents: synthesis and trypanosomicidal activity(SPRINGER BIRKHAUSER, 2021) Becerra, Nohemi A.; Espinosa Bustos, Christian; Vazquez, Karina; Rivera, Gildardo; Paulino, Margot; Cantero, Jorge; Nogueda, Benjamin; Chacon Vargas, Fabiola; Castillo Velazquez, Uziel; Elizondo Rodriguez, Ana F.; Toledo, Sofia; Moreno Rodriguez, Adriana; Aranda, Mario; Salas, Cristian O.In continuation our effort to research the chemical space of aryloxy-naphthoquinones as potential anti-Chagas agents, we synthesized nine derivatives and these compounds were evaluated in vitro against the epimastigote and trypomastigote forms of Mexican strains of Trypanosoma cruzi (T. cruzi). Most of these derivatives are highly active against epimastigote forms (IC50 < 1.0 mu M) compared to the reference drug benznidazole (Bzn). Then these were evaluated on trypomastigotes, which is showing better potency results than Bzn for compounds 3b and 3g. In addition, the cytotoxicity of these compounds was determined on the murine macrophage cell line J774. 3b and 3i were the most selective compounds against NINOA trypomastigote and INC-5 epimastigote forms, respectively. Further these compounds also have good oral bioavailability according to theoretical predictions. Finally, we were able to determine optimal substitution patterns using pharmacophoric models. All these results are provided very useful structural information to continue our designing of naphthoquinone derivatives against T. cruzi.
- ItemStructural analysis and molecular docking of trypanocidal aryloxy-quinones in trypanothione and glutathione reductases: a comparison with biochemical data(2017) Vera, Brenda; Vázquez, Karina; Mascayano, Carolina; Tapia Apati, Ricardo; Espinosa, Victoria; Soto, Jorge Delgado; Salas Sánchez, Cristián Osvaldo; Paulino, Margot
- ItemSynthesis and Pharmacophore Modelling of 2.6.9-Trisubstituted Purine Derivatives and Their Potential Role as Apoptosis-Inducing Agents in Cancer Cell Lines(2015) Calderón Arancibia, Jeannette; Espinosa Bustos, Christian Marcelo; Cañete Molina, Álvaro; Tapia Apati, Ricardo; Faúndez Cáceres, Mario; Torres Torres, María José; Aguirre, Adam; Paulino, Margot; Salas Sánchez, Cristián Osvaldo