Setup and Validation of a Reliable Docking Protocol for the Development of Neuroprotective Agents by Targeting the Sigma-1 Receptor (S1R)

Setup and Validation of a Reliable Docking Protocol for the Development of Neuroprotective Agents by Targeting the Sigma-1 Receptor (S1R)

Sigma-1 receptor (S1R) is a promising molecular target for the development of novel effective therapies against neurodegenerative diseases. To speed up the discovery of new S1R modulators, herein we report the development of a reliable in silico protocol suitable to predict the affinity of small mol...

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Bibliographic Details
Main Authors: Giacomo Rossino, Marta Rui, Luca Pozzetti, Dirk Schepmann, Bernhard Wünsch, Daniele Zampieri, Giorgia Pellavio, Umberto Laforenza, Silvia Rinaldi, Giorgio Colombo, Laura Morelli, Pasquale Linciano, Daniela Rossi, Simona Collina
Format: Article
Language:English
Published: MDPI AG 2020-10-01
Series:International Journal of Molecular Sciences
Subjects:
Sigma-1 receptor
docking
molecular modelling
neuroprotection
neurodegeneration
acetylcholinesterase
Online Access:https://www.mdpi.com/1422-0067/21/20/7708

Internet

https://www.mdpi.com/1422-0067/21/20/7708

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