Research output per year
Research output per year
Personal profile
Education/Academic qualification
Pharmaceutical Sciences, PhD, University of Copenhagen
Feb 2018 → Jul 2021
Award Date: 5 Nov 2021
Chemistry, Master of Science, Federal University of Rio Grande do Sul
Aug 2015 → Sept 2017
Award Date: 29 Sept 2017
Master of Science, Molecular modeling in the study of ligand-receptor interactions and the rational design of inhibitors of petrobactin biosynthesis in Bacillus anthracis: dehydroshikimate dehydratase as a target for new anti-anthrax therapies, Federal University of Rio Grande do Sul
Award Date: 29 Sept 2017
Chemistry, Bachelor of Science, Federal University of Rio Grande do Sul
Mar 2010 → Sept 2015
Award Date: 5 Sept 2015
Bachelor of Science, Federal University of Rio Grande do Sul
Award Date: 5 Sept 2015
Ph.D., Molecular modeling to rationalize and design ligands with functional selectivity at 5-HT2A, University of Copenhagen
External positions
Postdoctoral Researcher, Vrije Universiteit Amsterdam
1 Aug 2021 → 31 Jul 2023
Undergraduate Research Assistant, Northern Arizona University
1 Jan 2014 → 31 Dec 2014
Graduate Research Assistant, Federal University of Rio Grande do Sul
Scientific Initiation Intern, Federal University of Rio Grande do Sul
Keywords
- Faculty of Health and Medical Sciences
- Molecular modeling
- Molecular Dynamics
- Cheminformatics
- Medicinal Chemistry
Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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Ligand selectivity hotspots in serotonin GPCRs
Simon, I. A., Bjørn-Yoshimoto, W. E., Harpsøe, K., Iliadis, S., Svensson, B., Jensen, A. A. & Gloriam, D. E., 2023, In: Trends in Pharmacological Sciences. 44, 12, p. 978-990Research output: Contribution to journal › Review › peer-review
Open AccessFile13 Citations (Scopus)43 Downloads (Pure) -
A Radiolabeled Photoswitchable G Protein-Coupled Receptor Antagonist Enlightens Ligand Binding Kinetics Associated with Photoswitching
Binkhorst, L. C. P., Josimovic, I., De Boer, B., Simon, I. A., Van Der Aa, F., Zarzycka, B. A., De Esch, I. J. P., Vischer, H. F., Windhorst, A. D., Wijtmans, M. & Leurs, R., 2025, In: Journal of the American Chemical Society. 147, 27, p. 23991–24000Research output: Contribution to journal › Journal article › Research › peer-review
Open Access -
Synthesis, Pharmacological Characterization, and Binding Mode Analysis of 8-Hydroxy-Tetrahydroisoquinolines as 5-HT7 Receptor Inverse Agonists
Chan, C. B., Pottie, E., Simon, I. A., Rossebø, A. G., Herth, M. M., Harpsøe, K., Kristensen, J. L., Stove, C. P. & Poulie, C. B. M., 2025, In: ACS Chemical Neuroscience. 16, 3, p. 439–451Research output: Contribution to journal › Journal article › Research › peer-review
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Pharmacological Characterization and Radiolabeling of VUF15485, a High-Affinity Small-Molecule Agonist for the Atypical Chemokine Receptor ACKR3
Zarca, A. M., Adlere, I., Viciano, C. P., Arimont-Segura, M., Meyrath, M., Simon, I. A., Bebelman, J. P., Laan, D., Custers, H. G. J., Janssen, E., Versteegh, K. L., Buzink, M. C. M. L., Nesheva, D. N., Bosma, R., de Esch, I. J. P., Vischer, H. F., Wijtmans, M., Szpakowska, M., Chevigné, A. & Hoffmann, C. & 5 others, , 2024, In: Molecular Pharmacology. 105, 4, p. 301-312 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
5 Citations (Scopus) -
PSW-Designer: An Open-Source Computational Platform for the Design and Virtual Screening of Photopharmacological Ligands
Simon, I. A., Homan, E. J., Wijtmans, M., Sundström, M., Leurs, R., De Esch, I. J. P. & Zarzycka, B. A., 2023, In: Journal of Chemical Information and Modeling. 63, 21, p. 6696-6705 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
Open Access -
Structure–Activity Assessment and In-Depth Analysis of Biased Agonism in a Set of Phenylalkylamine 5-HT2A Receptor Agonists
Pottie, E., Poulie, C. B. M., Simon, I. A., Harpsøe, K., D’Andrea, L., Komarov, I. V., Gloriam, D. E., Jensen, A. A., Kristensen, J. L. & Stove, C. P., 2023, In: ACS Chemical Neuroscience. 14, 15, p. 2727–2742Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile13 Citations (Scopus)56 Downloads (Pure) -
Discovery of β-Arrestin-Biased 25CN-NBOH-Derived 5-HT2A Receptor Agonists
Poulie, C. B. M., Pottie, E., Simon, I. A., Harpsøe, K., D'Andrea, L., Komarov, I. V., Gloriam, D. E., Jensen, A. A., Stove, C. P. & Kristensen, J. L., 2022, In: Journal of Medicinal Chemistry. 65, 18, p. 12031–12043Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile21 Citations (Scopus)78 Downloads (Pure) -
GPCRs steer Gi and Gs selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors
Huang, S., Xu, P., Shen, D.-D., Simon, I. A., Mao, C., Tan, Y., Zhang, H., Harpsøe, K., Li, H., Zhang, Y., You, C., Yu, X., Jiang, Y., Zhang, Y., Gloriam, D. E. & Xu, H. E., 2022, In: Molecular Cell. 82, 14, p. 2681-2695.e6 15 p.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile87 Citations (Scopus)48 Downloads (Pure)