In Silico Drug Design for Purinergic GPCRs: Overview on Molecular Dynamics Applied to Adenosine and P2Y Receptors

In Silico Drug Design for Purinergic GPCRs: Overview on Molecular Dynamics Applied to Adenosine and P2Y Receptors

Molecular modeling has contributed to drug discovery for purinergic GPCRs, including adenosine receptors (ARs) and P2Y receptors (P2YRs). Experimental structures and homology modeling have proven to be useful in understanding and predicting structure activity relationships (SAR) of agonists and anta...

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Bibliographic Details
Main Authors: Veronica Salmaso, Kenneth A. Jacobson
Format: Article
Language:English
Published: MDPI AG 2020-05-01
Series:Biomolecules
Subjects:
nucleoside
molecular dynamics
adenosine receptor
GPCR
extracellular loop
collective variable
Online Access:https://www.mdpi.com/2218-273X/10/6/812

Internet

https://www.mdpi.com/2218-273X/10/6/812

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