Skip to main content

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

Dr Stefano Costanzi

  1. 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

  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. 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