Network análisis in complex protein-inhibitor systems : a Cruzain case study

Chagas disease is a neglected tropical disease caused by Trypanosoma cruzi. Cruzain (Cz),the parasite major cysteine-protease, is a viable target for developing new drugs. A survey on public databases with activty activity annotations revealed that several Cz inhibitors containing a halogen a haloge...

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Detalles Bibliográficos
Autores principales:	Villafañe, Roxana Noelia, Bogado, María Lucrecia, Angelina, Emilio Luis, Peruchena, Nélida María
Formato:	Congreso
Lenguaje:	Español
Publicado:	Asociación Argentina de Bioinformática y Biología Computacional 2025
Materias:	Cruzain Proteins Network análisis Structure-based drug desing
Acceso en línea:	http://repositorio.unne.edu.ar/handle/123456789/56432
Aporte de:	RIUNNE - Repositorio Institucional de la Universidad Nacional del Nordeste (UNNE) de Universidad Nacional del Nordeste

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spelling	I48-R184-123456789-564322025-02-20T20:16:47Z Network análisis in complex protein-inhibitor systems : a Cruzain case study Villafañe, Roxana Noelia Bogado, María Lucrecia Angelina, Emilio Luis Peruchena, Nélida María Cruzain Proteins Network análisis Structure-based drug desing Chagas disease is a neglected tropical disease caused by Trypanosoma cruzi. Cruzain (Cz),the parasite major cysteine-protease, is a viable target for developing new drugs. A survey on public databases with activty activity annotations revealed that several Cz inhibitors containing a halogen a halogen atom (LX, X = CL, Br, I) were up to thousands of times more active than their non-halogenated analogs (LH) giving rise to an activity cliff in the Cz/inhibitor interaction landscape. 2025-02-20T20:15:35Z 2025-02-20T20:15:35Z 2020-09-24 Congreso Villafañe, Roxana Noelia, et al., 2020. Network análisis in complex protein-inhibitor systems : a Cruzain case study. En: Primer Congreso Latinoamericano de Mujeres de Bioinformática y Ciencias de Dato. Buenos Aires: Asociación Argentina de Bioinformática y Biología Computacional, p. 154-155. 978-987-86-6367-8 http://repositorio.unne.edu.ar/handle/123456789/56432 spa openAccess http://creativecommons.org/licenses/by-nc-nd/2.5/ar/ application/pdf p. 154-155 application/pdf Asociación Argentina de Bioinformática y Biología Computacional
institution	Universidad Nacional del Nordeste
institution_str	I-48
repository_str	R-184
collection	RIUNNE - Repositorio Institucional de la Universidad Nacional del Nordeste (UNNE)
language	Español
topic	Cruzain Proteins Network análisis Structure-based drug desing
spellingShingle	Cruzain Proteins Network análisis Structure-based drug desing Villafañe, Roxana Noelia Bogado, María Lucrecia Angelina, Emilio Luis Peruchena, Nélida María Network análisis in complex protein-inhibitor systems : a Cruzain case study
topic_facet	Cruzain Proteins Network análisis Structure-based drug desing
description	Chagas disease is a neglected tropical disease caused by Trypanosoma cruzi. Cruzain (Cz),the parasite major cysteine-protease, is a viable target for developing new drugs. A survey on public databases with activty activity annotations revealed that several Cz inhibitors containing a halogen a halogen atom (LX, X = CL, Br, I) were up to thousands of times more active than their non-halogenated analogs (LH) giving rise to an activity cliff in the Cz/inhibitor interaction landscape.
format	Congreso
author	Villafañe, Roxana Noelia Bogado, María Lucrecia Angelina, Emilio Luis Peruchena, Nélida María
author_facet	Villafañe, Roxana Noelia Bogado, María Lucrecia Angelina, Emilio Luis Peruchena, Nélida María
author_sort	Villafañe, Roxana Noelia
title	Network análisis in complex protein-inhibitor systems : a Cruzain case study
title_short	Network análisis in complex protein-inhibitor systems : a Cruzain case study
title_full	Network análisis in complex protein-inhibitor systems : a Cruzain case study
title_fullStr	Network análisis in complex protein-inhibitor systems : a Cruzain case study
title_full_unstemmed	Network análisis in complex protein-inhibitor systems : a Cruzain case study
title_sort	network análisis in complex protein-inhibitor systems : a cruzain case study
publisher	Asociación Argentina de Bioinformática y Biología Computacional
publishDate	2025
url	http://repositorio.unne.edu.ar/handle/123456789/56432
work_keys_str_mv	AT villafaneroxananoelia networkanalisisincomplexproteininhibitorsystemsacruzaincasestudy AT bogadomarialucrecia networkanalisisincomplexproteininhibitorsystemsacruzaincasestudy AT angelinaemilioluis networkanalisisincomplexproteininhibitorsystemsacruzaincasestudy AT peruchenanelidamaria networkanalisisincomplexproteininhibitorsystemsacruzaincasestudy
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Network análisis in complex protein-inhibitor systems : a Cruzain case study

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