Mechanistic Insight into the Binding of Multivalent Pyrrolidines to α-Mannosidases

Novel pyrrolidine-based multivalent iminosugars, synthesized by a CuAAC approach, have shown remarkable multivalent effects towards jack bean α-mannosidase and a Golgi α-mannosidase from Drosophila melanogaster, as well as a good selectivity with respect to a lysosomal α-mannosidase, which is import...

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Detalhes bibliográficos
Autores: Mirabella, Stefania, D'Adamio, Giampiero, Matassini, Camilla, Goti, Andrea, Delgado, Sandra, Gimeno, Ana, Robina Ramírez, Inmaculada, Moreno Vargas, Antonio José, Šesták, Sergej, Jiménez Barbero, Jesús, Cardona, Francesca
Formato: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2017
País:España
Recursos:Universidad de Sevilla (US)
Repositorio:idUS. Depósito de Investigación de la Universidad de Sevilla
OAI Identifier:oai:idus.us.es:11441/140650
Acesso em linha:https://hdl.handle.net/11441/140650
https://doi.org/10.1002/chem.201703011
Access Level:acceso abierto
Palavra-chave:Enzymes
Iminosugars
Inhibitors
Multivalency
Pyrrolidine
Descrição
Resumo:Novel pyrrolidine-based multivalent iminosugars, synthesized by a CuAAC approach, have shown remarkable multivalent effects towards jack bean α-mannosidase and a Golgi α-mannosidase from Drosophila melanogaster, as well as a good selectivity with respect to a lysosomal α-mannosidase, which is important for anticancer applications. STD NMR and molecular modeling studies supported a multivalent mechanism with specific interactions of the bioactive iminosugars with Jack bean α-mannosidase. TEM studies suggested a binding mode that involves the formation of aggregates, which result from the intermolecular cross-linked network of interactions between the multivalent inhibitors and two or more dimers of JBMan heterodimeric subunits.