Structure-Based Design of Potent and Selective Ligands at the Four Adenosine Receptors

Structure-Based Design of Potent and Selective Ligands at the Four Adenosine Receptors

The four receptors that signal for adenosine, A1, A2A, A2B and A3 ARs, belong to the superfamily of G protein-coupled receptors (GPCRs). They mediate a number of (patho)physiological functions and have attracted the interest of the biopharmaceutical sector for decades as potential drug targets. The...

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Bibliographic Details
Main Authors: Willem Jespers, Ana Oliveira, Rubén Prieto-Díaz, María Majellaro, Johan Åqvist, Eddy Sotelo, Hugo Gutiérrez-de-Terán
Format: Article
Language:English
Published: MDPI AG 2017-11-01
Series:Molecules
Subjects:
free energy perturbation (FEP)
G protein-coupled receptors (GPCRs)
molecular dynamics (MD) simulations
structure-based drug design (SBDD)
Online Access:https://www.mdpi.com/1420-3049/22/11/1945

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https://www.mdpi.com/1420-3049/22/11/1945

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