Icaro A. Simon (@icaro_simon) profile picture

Icaro A. Simon

@icaro_simon

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

 Copenhagen, Denmark
scholar.google.com/citations?user=JEFvgY4AAAAJ&hl=en
Joined July 2015
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Icaro A. Simon retweeted
Tomek (@t00mek88) profile picture
Tomek@t00mek887 Aug 2025
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! tinyurl.com/mwnaadtn
Image from Tomek (@t00mek88)
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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 - go.shr.lc/3GdrAHH

Exploring a Druggable Hydrophobic Tunnel in the 5-HT2A Receptor with Potent Phenethylamines |...

The serotonin 2A receptor (5-HT2AR) is the most abundant excitatory serotonin receptor in the brain and the primary target for serotonergic psychedelics. Despite its importance, the receptor's...

chemrxiv.org
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Our new paper "Characterization of genetic variants of GIPR reveals a contribution of β-arrestin to metabolic phenotypes " is out in @NatMetabolism nature.com/articles/s42255-0… We demonstrate that β-arrestin is central to the function of the #GIP receptor in vitro/vivo. 1/n 🧵👇
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Proud to see the beautiful cover of TiPS made by @icaro_simon.
Trends in Pharmacological Sciences (@TrendsinPharma) profile pictureTrends in Pharmacological Sciences@TrendsinPharma27 Nov 2023
The December 2023 issue of Cell Press Trends in Pharmacological Sciences is online now. cell.com/trends/pharmacologi… On the cover: Ligand selectivity hotspots in serotonin GPCRs @icaro_simon @David_Gloriam @waldensciencing @Lundbeckfonden @UCPH_health
Image from Trends in Pharmacological Sciences (@TrendsinPharma)
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The December 2023 issue of Cell Press Trends in Pharmacological Sciences is online now. cell.com/trends/pharmacologi… On the cover: Ligand selectivity hotspots in serotonin GPCRs @icaro_simon @David_Gloriam @waldensciencing @Lundbeckfonden @UCPH_health
Image from Trends in Pharmacological Sciences (@TrendsinPharma)
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This one is mine 😍 Have a look! (It's open access 😏)
JCIM & JCTC Journals (@JCIM_JCTC) profile pictureJCIM & JCTC Journals@JCIM_JCTC23 Nov 2023
PSW-Designer: An Open-Source Computational Platform for the Design and Virtual Screening of Photopharmacological Ligands #Docking pubs.acs.org/doi/10.1021/acs… @icaro_simon #JCIM Vol63 Issue21 #compchem

PSW-Designer: An Open-Source Computational Platform for the Design and Virtual Screening of...

Abstract. Photoswitchable (PSW) molecules offer an attractive opportunity for the optical control of biological processes. However, the successful design o

pubs.acs.org
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Icaro A. Simon retweeted
Björn Walse (@bwalse) profile picture
Björn Walse@bwalse8 Nov 2023
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. sciencedirect.com/science/ar…
Image from Björn Walse (@bwalse)
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Ligand selectivity hotspots in serotonin GPCRs dlvr.it/SyBYqG
Image from Trends in Pharmacological Sciences (@TrendsinPharma)
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New review revealing ‘selectivity hotspots’ residues in the ligand binding pocket guiding design safer drugs with target specificity authors.elsevier.com/sd/arti…. #GPCR #drugdiscovery @Lundbeckfonden, @UCPH_health, @DrGPCR, @yaminaberchiche, @jjanetzko, @reducentropy, @zenbrainest
Image from David Gloriam (@David_Gloriam)
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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. pubs.acs.org/doi/10.1021/acs… @ACSBioMed
Discovery of β‑Arrestin-Biased 25CN-NBOH-Derived 5‑HT2A Receptor Agonists

Discovery of β‑Arrestin-Biased 25CN-NBOH-Derived 5‑HT2A Receptor Agonists

Abstract. The serotonin 2A receptor (5-HT2AR) is the mediator of the psychedelic effects of serotonergic psychedelics, which have shown promising results i

pubs.acs.org
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I'm extremely happy to announce that the first publication of my Ph.D. is out... In Nature! 😀🍾 #gpcr #serotonin #structuralbiology nature.com/articles/s41586-0…
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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...
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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 🇪🇺
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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 lnkd.in/ePDnNT8

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So good! Loved it! 😂😂
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