Finding for new drugs in nature for neglected tropical diseases: in silico study of homolycorine alkaloids against chagas disease
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| Autors: | , , , , , , |
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| Format: | comunicación de congreso |
| Data de publicació: | 2023 |
| Descripció: | Chagas 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. |
| Pais: | Kérwá |
| Institution: | Universidad de Costa Rica |
| Repositorio: | Kérwá |
| Idioma: | Inglés |
| OAI Identifier: | oai:kerwa.ucr.ac.cr:10669/103575 |
| Accés en línia: | https://hdl.handle.net/10669/103575 https://doi.org/10.1109/BIP60195.2023.10379389 |
| Paraula clau: | Amaryllidaceae alkaloids Homolycorine Alkaloids Chagas Disease Cruzaine Trypanothione reductase Molecular Docking Chemoinformatics |