title: The characterization of anti-T. cruzi activity relationships between ferrocenyl, cyrhetrenyl complexes and ROS release.
abstract: Trypanosoma cruzi (T. cruzi) is the parasite that causes Chagas disease. Nifurtimox is the most used drug against the T. cruzi, this drug increases intermediaries nitro group, being mainly responsible for the high toxicity component, for this reason it is important to study new organic compounds and thus improve therapeutic strategies against Chagas disease. The electronic effects of ferrocenyl and cyrhetrenyl fragments were investigated by DFT calculation. A close correlation was found between HOMO-LUMO gap of nitro radical NO 2 (-) with the experimental reduction potential found for nitro group and IC50 of two forms the T. cruzi (epimastigote and trypomastigote). The IC50 on human hepatoma cells is higher for both compounds compared to IC50 demonstrated in the two forms the T. cruzi, and additionally show reactive oxygen species release. The information obtained in this paper could generate two new drugs with anti-T. cruzi activity, but additional studies are needed.
authors.affiliation: Laboratorio de Bionanotecnología, Universidad Bernardo O Higgins, General Gana 1780, Santiago, Chile.|Urology Department, Hospital Barros Luco Trudeau, Santiago, Chile.
authors.forename: César
authors.initials: C
authors.lastname: Echeverría
authors.affiliation: Laboratorio de Bionanotecnología, Universidad Bernardo O Higgins, General Gana 1780, Santiago, Chile.
authors.forename: Valentina
authors.initials: V
authors.lastname: Romero
authors.affiliation: Instituto de Química, Pontificia Universidad Católica de Valparaíso, Casilla 4059, Valparaíso, Chile.
authors.forename: Rodrigo
authors.initials: R
authors.lastname: Arancibia
authors.affiliation: Instituto de Química, Pontificia Universidad Católica de Valparaíso, Casilla 4059, Valparaíso, Chile.
authors.forename: Hugo
authors.initials: H
authors.lastname: Klahn
authors.affiliation: Laboratorio de Bionanotecnología, Universidad Bernardo O Higgins, General Gana 1780, Santiago, Chile.
authors.forename: Ignacio
authors.initials: I
authors.lastname: Montorfano
authors.affiliation: Centro de Investigación y Tratamiento del Cancer, Facultad de Medicina, Universidad de Chile, Independencia 1027, Santiago, Chile.|Center for Excellence in Precision Medicine Pfizer, Santiago, Chile.
authors.forename: Ricardo
authors.initials: R
authors.lastname: Armisen
authors.affiliation: Urology Department, Hospital Barros Luco Trudeau, Santiago, Chile.
authors.forename: Vincenzo
authors.initials: V
authors.lastname: Borgna
authors.affiliation: Laboratorio de Fisiopatología Integrativa, Departamento de Ciencias Biologicas, Facultad de Ciencias Biologicas and Facultad de Medicina, Universidad Andres Bello, Avenida Republica 239, Santiago, Chile.|Millennium Institute on Immunology and Immunotherapy, Santiago, Chile.
authors.forename: Felipe
authors.initials: F
authors.lastname: Simon
authors.affiliation: Laboratorio de Bionanotecnología, Universidad Bernardo O Higgins, General Gana 1780, Santiago, Chile. rramirez@ubo.cl.
authors.forename: Rodrigo
authors.identifier: 0000-0003-0694-1808
authors.initials: R
authors.lastname: Ramirez-Tagle
mesh_terms: D002470:Cell Survival / Q000187:drug effects; D004305:Dose-Response Relationship, Drug; D005296:Ferrous Compounds / Q000737:chemistry / Q000494:pharmacology*; D056945:Hep G2 Cells; D006801:Humans; D009942:Organometallic Compounds / Q000737:chemistry / Q000494:pharmacology*; D021261:Parasitic Sensitivity Tests; D017382:Reactive Oxygen Species / Q000378:metabolism*; D012211:Rhenium / Q000737:chemistry / Q000494:pharmacology*; D014344:Trypanocidal Agents / Q000737:chemistry / Q000494:pharmacology*; D014349:Trypanosoma cruzi / Q000187:drug effects* / Q000378:metabolism
chemical_list: D005296:Ferrous Compounds; D009942:Organometallic Compounds; D017382:Reactive Oxygen Species; D014344:Trypanocidal Agents; D012211:Rhenium
keywords: Anti-chagasic; DFT; Reactive oxygen species; Trypanosoma cruzi