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G protein-coupled receptors: computer-aided ligand discovery and computational structural analysis in the 2010s

Dr Stefano Costanzi

  1. Short report

    Implementing the “Best Template Searching” tool into Adenosiland platform

    Adenosine receptors (ARs) belong to the G protein-coupled receptors (GCPRs) family. The recent release of X-ray structures of the human A2A AR (h A2A AR ) in complex with agonists and antagonists has increased th...

    Matteo Floris, Davide Sabbadin, Antonella Ciancetta, Ricardo Medda, Alberto Cuzzolin and Stefano Moro

    In Silico Pharmacology 2013 1:25

    Published on: 20 December 2013

  2. Original research

    Simulation and comparative analysis of binding modes of nucleoside and non-nucleoside agonists at the A2B adenosine receptor

    A2B receptor agonists are studied as possible therapeutic tools for a variety of pathological conditions. Unfortunately, medicinal chemistry efforts have led to the development of a limited number of potent agoni...

    Diego Dal Ben, Michela Buccioni, Catia Lambertucci, Ajiroghene Thomas and Rosaria Volpini

    In Silico Pharmacology 2013 1:24

    Published on: 20 December 2013

  3. Original research

    High end GPCR design: crafted ligand design and druggability analysis using protein structure, lipophilic hotspots and explicit water networks

    G Protein-Coupled Receptors (GPCRs) are a large family of therapeutically important proteins and as diverse X-ray structures become available it is increasingly possible to leverage structural information for ...

    Jonathan S Mason, Andrea Bortolato, Dahlia R Weiss, Francesca Deflorian, Benjamin Tehan and Fiona H Marshall

    In Silico Pharmacology 2013 1:23

    Published on: 20 December 2013