Meet Smartox at RCS Symposium on GPCR

Meet Smartox at the 6th RCS / SCI symposium on GPCR in medchem, June 13-15 in Verona Italy and let’s discuss   about the VenomScreen compound library.

Symposium website:


Day 1 – Monday 13th June

08:30 Registration and refreshments
Session Chair: Fabrizio Micheli, Aptuit
09:20 Opening remarks

Jonathan Goldman, CEO of Aptuit, and Adrian Hall, Co-chairman of the GPCRs Organising Committee


Plenary: The seventh millennium of GPCR drug discovery

Fiona Marshall, Heptares Therapeutics, UK

10:20 Insights into chemistry and biology of GPCRs from molecular modelling

Irina Tikhonova, Queen’s University Belfast, UK

10:55 Refreshments, exhibition and posters

Biased agonism @ FPR2

Olivier Corminboeuf, Actelion, Switzerland


TAAR1 agonists – a new approach for the treatment of psychiatric disorders

Roger Norcross, Roche Pharma Research & Early Development, Switzerland

12:30 Binding of anticholinergics to the M3 receptor: explaining kinetics by mutagenesis and molecular dynamics simulations

Christofer Tautermann, Boehringer Ingelheim, Germany

13:00 Lunch, exhibition and posters
Session Chair:  Simon Peace, GlaxoSmithKline

High-resolution structure of the human GPR40 receptor bound to allosteric agonist TAK-875

Gyorgy Snell, Takeda California, USA

14:40 Design, synthesis and pharmacological profile of the GPR40 receptor agonist MK-8666

Ravi Nargund, Merck, USA

15:10 Refreshments, exhibition and posters

Comparative GPCR structure and mutagenesis analyses in ligand modelling
Kasper Harpsøe, University of Copenhagen, Denmark

16:25 Close

Coaches depart for visit to Vineyard (Cantina Sociale di Soave – Soave and Valpolicella) and evening meal

21:00 Coaches leave Vineyard for Verona city centre

Day 2 – Tuesday 14th June

Session Chair:  Adrian Hall, UCB

Recent computational trends in exploring G protein-coupled receptor (GPCR) ligand recognition pathways

Stefano Moro, University of Padova, Italy


Discovery of small molecule modulators of the protease activated receptor-2 (PAR2)

Roland Bürli, AstraZeneca and MedImmune, UK 

10:30 Refreshments, exhibition and posters
11:00 Nutrient sensing GPCR FFAR1 (GPR40): allosteric agonist binding mode and physical properties influence agonist pharmacology
Bruce Ellsworth, Bristol-Myers Squibb, USA

Roles of waters to predict binding affinity, selectivity and kinetics: a key component of high end GPCR SBDD

Jonathan Mason, Heptares Therapeutics, UK

12:15 Lunch, exhibition and posters
Session Chair:  Caroline Low, Consultant
13:15 Design and synthesis of highly selective 5-HT2C receptor agonists as potential novel treatment for neuropsychiatric diseases

Andreas Haupt, AbbVie, Germany

13:50 Dopamine D3/D2 antagonist PF-04363467 attenuates drug-seeking behaviour without concomitant D2 side effects
Travis Wager, Pfizer, USA
14:25 Discovery of mGluR2 negative allosteric modulators for the treatment of neuropsychiatric disorders

Michiel Van Gool, Janssen, Belgium

15:00 Refreshments, exhibition and posters
15:30 Acquired resistance to smoothened inhibitors in cancer patients

Hayley Sharpe, Cambridge Institute for Medical Research,  UK


Plenary:  Are we there yet?  How many unique GPCR structures needed?

Vsevolod (Seva) Katritch, University of Southern California, USA


Flash poster presentation session

16:55 Investigation of G-Protein-Coupled Receptor–VEGFR2 heteroreceptor complexes using Bioluminescence Resonance Energy Transfer (BRET)
Diana Alcobia, University of Nottingham, UK
16:57 Quality tuning and pharmacological characterization of cell-free synthesized G-protein coupled receptors in customized membranes
Frank Bernhard, Goethe Institute, Germany
16:59 Towards metabolically stable arylsulfonamide derivatives of (aryloxy)ethyl piperidines as potent and selective 5-HT7 receptor antagonists
Vittorio Canale, Jagiellonian University Medical College, Poland
17:01 New small-molecule fluorescent probes for FPR optical visualization
Agostino Cilibrizzi, Imperial College London, UK
17:03 Binding paths of peptide agonists and antagonists on a Class B GPCR mapped by genetically encoded chemical probes
Irene Coin, University of Leipzig, Germany
17:05 Quantifying signalling bias: a simple approach to quantify functional selectivity and agonist bias
Andrew Green, DiscoveRx, UK
17:07 The impact of modifying the structure of selected hexyl arylpiperazines on the activity for 5-HT1 / 5-HT7 receptors
Jolanta Jaśkowska, Cracow University of Technology, Poland
17:09 A structure-based consensus scoring scheme for selecting class-A aminergic GPCR fragments
Ádám Andor Kelemen, Hungarian Academy of Sciences, Hungary
17:11 Peptide ligand SAR of bradykinin 1 receptor explained by solid-state NMR
Jiafei Mao, Goethe University Frankfurt, Germany
17:13 Design and synthesis of novel heterocyclic-based chemotypes as potent and selective CB2 ligands
Noha Osman, German University in Cairo, Egypt
17:15 Fragment-based discovery of subtype selective adenosine receptor ligands from homology models
Anirudh Ranganathan, Stockholm University (Scilifelab), Sweden
17:17 A virtual screening platform to identify selective ligands within GPCRs subfamilies
Esther Sala, Intelligent Pharma SL, Spain
17:19 The application of NanoBRET for the characterisation of subtype selective dipeptide-linked fluorescent Propranolol derivatives for human β1 and β2 adrenoceptors
Lea Santu, University of Nottingham, UK
17:21 Generating accessible and novel R-groups and scaffolds for GPCR projects
Giovanna Tedesco, Cresset, UK
17:23 Specific anionic lipids interaction and allosteric modulation of GPCR
Hsin-Yung Yen, University of Oxford, UK
17:25 Characterisation of the kinetics of binding of orexin antagonists at the OX1 receptor
Richard Mould, Heptares Therapeutics Ltd, UK
17:27 Molecular dynamics of active state GLP-1R bound to either GLP-1 or oxyntomodulin
Juan Carlos Mobarec, University of Essex, UK
17:30 Poster session
19:00 Conference dinner at Aptuit


Day 3 – Wednesday 15th June
Session Chair:  David Miller, Takeda Cambridge

What happens when you thermostabilise a GPCR?

Bernadette Byrne, Imperial College London, UK


An integrated ligand and structure-based approach for the rational identification of novel dual acting A2A/NR2B antagonists: value of X-Ray crystallography for understanding an A2A activity cliff

Zara Sands, UCB, Belgium

10:15 Refreshments, exhibition and posters

The Confo®body technology, a new platform to enable fragment screening on GPCRs

Christel Menet, Confo Therapeutics, Belgium


LPARs – recent progress and medchem approach towards LPAR5

Werngard Czechtizky, Sanofi

12:00 Closing remarks

David Miller, Co-chairman of the GPCRs Organising Committee, UK

12:05 Close


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