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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

preprint
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.

Funding

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).

History

Email Address of Submitting Author

ankol@pharm.uoa.gr

Institution

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

Country

Greece

ORCID For Submitting Author

0000-0001-6110-1903

Declaration of Conflict of Interest

No conflict

Version Notes

This a pdf file from a word document

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