Computer-aided design of multi-target ligands at A1R, A2AR and PDE10A, key proteins in neurodegenerative diseases

Computer-aided design of multi-target ligands at A1R, A2AR and PDE10A, key proteins in neurodegenerative diseases

Abstract Compounds designed to display polypharmacology may have utility in treating complex diseases, where activity at multiple targets is required to produce a clinical effect. In particular, suitable compounds may be useful in treating neurodegenerative diseases by promoting neuronal survival in...

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Bibliographic Details
Main Authors: Leen Kalash, Cristina Val, Jhonny Azuaje, María I. Loza, Fredrik Svensson, Azedine Zoufir, Lewis Mervin, Graham Ladds, José Brea, Robert Glen, Eddy Sotelo, Andreas Bender
Format: Article
Language:English
Published: BMC 2017-12-01
Series:Journal of Cheminformatics
Subjects:
Multi-target ligands
Adenosine receptor ligands
PDE10A inhibitors
Target prediction
Drug design
Docking
Online Access:http://link.springer.com/article/10.1186/s13321-017-0249-4

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http://link.springer.com/article/10.1186/s13321-017-0249-4

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