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AR Agonists_DS7_AK12_KB3_GL3.pdf (2.61 MB)

Structural Characterization of Agonist Binding to A3 Adenosine Receptor through Biomolecular Simulations and Mutagenesis Experiments

submitted on 19.07.2019, 18:43 and posted on 22.07.2019, 16:46 by Dimitrios Stamatis, Panagiotis Lagarias, Kerry Barkan, Eleni Vrontaki, Graham Ladds, Antonios Kolocouris
The study aimed at highlighting features of the still-unsolved A3R that are important for IB-MECA and NECA binding and may be used for the design of effective ligands using computational and mutagenesis studies.


This research represents part of the Master thesis of DS. and post-doctoral work EV We also thank Chiesi Hellas which supported this research (SARG No 10354) and the State Scholarships Foundation (IKY) for providing a Ph.D fellowship to P.L. (MIS 5000432, NSRF 2014-2020) and a post-doctoral fellowship to E.V. (MIS 5001552, NSRF 2014-2020). We gratefully acknowledge the support of the Leverhulme Trust (KB and GL) and the BBSRC (GL). This work was supported by computational time granted from the Greek Research & Technology Network (GRNET) in the National HPC facility - ARIS - under project IDs pr002021 and pr001004).


Email Address of Submitting Author


Division of Pharmaceutical Chemistry, Department of Pharmacy, School of Health Sciences, NKUA



ORCID For Submitting Author


Declaration of Conflict of Interest

No conflict

Version Notes

This a pdf file from a word document