Repositioning Dequalinium as Potent Muscarinic Allosteric Ligand by Combining Virtual Screening Campaigns and Experimental Binding Assays

Repositioning Dequalinium as Potent Muscarinic Allosteric Ligand by Combining Virtual Screening Campaigns and Experimental Binding Assays

Structure-based virtual screening is a truly productive repurposing approach provided that reliable target structures are available. Recent progresses in the structural resolution of the G-Protein Coupled Receptors (GPCRs) render these targets amenable for structure-based repurposing studies. Hence,...

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Bibliographic Details
Main Authors: Angelica Mazzolari, Silvia Gervasoni, Alessandro Pedretti, Laura Fumagalli, Rosanna Matucci, Giulio Vistoli
Format: Article
Language:English
Published: MDPI AG 2020-08-01
Series:International Journal of Molecular Sciences
Subjects:
drug repurposing
virtual screening
consensus function
binding space
muscarinic receptors
allosteric modulators
Online Access:https://www.mdpi.com/1422-0067/21/17/5961

Internet

https://www.mdpi.com/1422-0067/21/17/5961

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