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Finding for new drugs in nature for neglected tropical diseases: in silico study of homolycorine alkaloids against chagas disease

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dc.creatorMora Romero, Daniel
dc.creatorSchosinsky, Frederick
dc.creatorCastellón Arias, Luis Josué
dc.creatorGonzález Ulloa, Kevin
dc.creatorBastida Armengol, Jaume
dc.creatorDe Souza Pinheiro, Silvana
dc.creatorZamora Ramírez, William J.
dc.date.accessioned2026-01-09T17:37:28Z
dc.date.issued2023-11-30
dc.description.abstractChagas disease or American trypanosomiasis is a neglected tropical disease (NTD). It is mainly caused by infection with the Trypanosoma cruzi parasite. In this study, part of an Ibero-American project of a CYTED network devoted to the use of Amaryllidaceae alkaloids as templates for the synthesis of new pharmaceuticals, we have performed a virtual screening of homolycorine-type alkaloids where two alkaloids, 10-Norneronine and 2a,10ba-dihydroxy-9-O-demethylhomolycorine, can be the basis for the design of new drugs due to their interaction with both Trypanothione reductase (TR), and Cruzain (CZ) showing scores close to -7 kcal/mol in molecular docking studies.
dc.description.procedenceUCR::Vicerrectoría de Investigación::Unidades de Investigación::Ciencias de la Salud::Laboratorio de Ensayos Biológicos (LEBI)
dc.description.procedenceUCR::Vicerrectoría de Docencia::Ciencias Básicas::Facultad de Ciencias::Escuela de Química
dc.description.sponsorshipUniversidad de Costa Rica/[115-C2126]/UCR/Costa Rica
dc.identifier.codproyecto115-C2126
dc.identifier.doihttps://doi.org/10.1109/BIP60195.2023.10379389
dc.identifier.isbn979-8-3503-3005-2
dc.identifier.urihttps://hdl.handle.net/10669/103575
dc.language.isoeng
dc.rightsacceso restringido
dc.sourceIEEE International Conference on BioInspired Processing (BIP)
dc.subjectAmaryllidaceae alkaloids
dc.subjectHomolycorine Alkaloids
dc.subjectChagas Disease
dc.subjectCruzaine
dc.subjectTrypanothione reductase
dc.subjectMolecular Docking
dc.subjectChemoinformatics
dc.titleFinding for new drugs in nature for neglected tropical diseases: in silico study of homolycorine alkaloids against chagas disease
dc.typecomunicación de congreso

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