Please use this identifier to cite or link to this item: doi:10.22028/D291-30924
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Title: BOPC1 Enantiomers Preparation and HuR Interaction Study. From Molecular Modeling to a Curious DEEP-STD NMR Application
Author(s): Volpe, Serena Della
Listro, Roberta
Parafioriti, Michela
Di Giacomo, Marcello
Rossi, Daniela
Ambrosio, Francesca Alessandra
Costa, Giosuè
Alcaro, Stefano
Ortuso, Francesco
Hirsch, Anna
Vasile, Francesca
Collina, Simona
Language: English
Title: ACS medicinal chemistry letters
Volume: 11
Issue: 5
Startpage: 883
Endpage: 888
Publisher/Platform: ACS
Year of Publication: 2020
Publikation type: Journal Article
Abstract: The Hu family of RNA-binding proteins plays a crucial role in post-transcriptional processes; indeed, Hu–RNA complexes are involved in various dysfunctions (i.e., inflammation, neurodegeneration, and cancer) and have been recently proposed as promising therapeutic targets. Intrigued by this concept, our research efforts aim at identifying small molecules able to modulate HuR–RNA interactions, with a focus on subtype HuR, upregulated and dysregulated in several cancers. By applying structure-based design, we had already identified racemic trans-BOPC1 as promising HuR binder. In this Letter, we accomplished the enantio-resolution, the assignment of the absolute configuration, and the recognition study with HuR of enantiomerically pure trans-BOPC1. For the first time, we apply DEEP (differential epitope mapping)-STD NMR to study the interaction of BOPC1 with HuR and compare its enantiomers, gaining information on ligand orientation and amino acids involved in the interaction, and thus increasing focus on the in silico binding site model.
DOI of the first publication: 10.1021/acsmedchemlett.9b00659
URL of the first publication:
Link to this record: hdl:20.500.11880/29138
ISSN: 1948-5875
Date of registration: 14-May-2020
Faculty: NT - Naturwissenschaftlich- Technische Fakultät
Department: NT - Pharmazie
Professorship: NT - Prof. Dr. Anna Hirsch
Collections:SciDok - Der Wissenschaftsserver der Universität des Saarlandes

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