Icaro A. Simon

Postdoc fellow at the University of Copenhagen
Molecular Modeling & Computational Chemistry on #cns receptors #gpcrs #psychedelics 👨‍💻🧠

[Tomek @t00mek88]

Thrilled to share our collaborative paper on β-arrestin-2! 🎉 Combining MD simulations with experimental approaches, we reveal the early steps of C-tail displacement by ACKR3. Huge thanks to our amazing collaborators and everyone who made this possible!
https://t.co/xFn7F13Wo3

[Icaro A. Simon @icaro_simon]

Hi there! I'm glad to share another piece of work "Fresh from the Oven"
Exploring a Druggable Hydrophobic Tunnel in the 5-HT2A Receptor with Potent Phenethylamines | ChemRxiv - https://t.co/dLmM7E5KBz

[Alexander S. Hauser @alexshauser]

Our new paper "Characterization of genetic variants of GIPR reveals a contribution of β-arrestin to metabolic phenotypes " is out in @NatMetabolism
https://t.co/2O4Wxkr0bk

We demonstrate that β-arrestin is central to the function of the #GIP receptor in vitro/vivo.

1/n 🧵👇

[David Gloriam @David_Gloriam]

Proud to see the beautiful cover of TiPS made by @icaro_simon.

[Trends in Pharmacological Sciences @TrendsinPharma]

The December 2023 issue of Cell Press Trends in Pharmacological Sciences is online now.
https://t.co/Xa7rdL7e0f
On the cover: Ligand selectivity hotspots in serotonin GPCRs
@icaro_simon @David_Gloriam @waldensciencing @Lundbeckfonden @UCPH_health

[Icaro A. Simon @icaro_simon]

This one is mine 😍 Have a look! (It's open access 😏)

[JCIM & JCTC Journals @JCIM_JCTC]

PSW-Designer: An Open-Source Computational Platform for the Design and Virtual Screening of Photopharmacological Ligands #Docking
https://t.co/3xSqllKPQ4
@icaro_simon
#JCIM Vol63 Issue21 #compchem

[Björn Walse @bwalse]

Structural biology rules!

The surge of high-res cryo-EM and X-ray crystal structures has made it possible to uncover functional determinants of receptor pharmacology and drug design from comparative analysis spanning the entire serotonin receptor family.
https://t.co/Vjme8Kt9pO

[Trends in Pharmacological Sciences @TrendsinPharma]

Ligand selectivity hotspots in serotonin GPCRs https://t.co/G6tWZkOy3T

[David Gloriam @David_Gloriam]

New review revealing ‘selectivity hotspots’ residues in the ligand binding pocket guiding design safer drugs with target specificity https://t.co/iGovpJblpD.

#GPCR #drugdiscovery
@Lundbeckfonden, @UCPH_health, @DrGPCR, @yaminaberchiche, @jjanetzko, @reducentropy, @zenbrainest

[Icaro A. Simon @icaro_simon]

@zenbrainest Indeed! And we think the structural rationale for this is 5-HT4 unique F45.52 https://t.co/aA5oPmj4mt

[Christophe Stove @christophestove]

Just online in #JMedChem: 1st collaborative publication w. the J. Kristensen group @UCPH_Research: "Discovery of β-Arrestin-Biased 25CN-NBOH-Derived 5-HT2A Receptor Agonists", by Poulie & Pottie et al., incl @David_Gloriam @icaro_simon & others.
https://t.co/wZlS78XDH0
@ACSBioMed

[Icaro A. Simon @icaro_simon]

Thanks to my extraordinary colleagues from SARomics Biostructures AB and the Gloriam Group, and the financial support from the European Union’s Horizon 2020 research and innovation program via the MSC grant agreement No. 765657 🇪🇺

[Icaro A. Simon @icaro_simon]

I'm extremely happy to announce that the first publication of my Ph.D. is out... In Nature! 😀🍾 #gpcr #serotonin #structuralbiology

https://t.co/n4vbykNJHE

[Icaro A. Simon @icaro_simon]

Super thanks to my PI @David_Gloriam for facilitating this accomplishment and my supervisors (and mentors) Kasper Harpsøe and Bo Svensson, as well as Eric Xu and his team for this great collaboration...

[David Gloriam @David_Gloriam]

Three more serotonin receptors with structures out in Nature. Nice addition towards @icaro_simon s PhD thesis and great collaboration with Eric Xu and the team. Thanks to @EU_H2020, @lundbeckfonden & @novonordiskfond. #gpcr https://t.co/fDcQmxvnxh

[Icaro A. Simon @icaro_simon]

So good! Loved it! 😂😂