Publications

You can also find my articles on my Google Scholar profile.

Pharmacological fingerprint of antipsychotic drugs at the serotonin 5-HT2A receptor

Published in Molecular Psychiatry, 2024

Paper about pharmacological fingerprint of 5-HT2A with my work revolving around molecular docking.

Recommended citation: Gaitonde, S. A., Avet, C., de la Fuente Revenga, M., Blondel-Tepaz, E., Shahraki, A., Pastor, A. M., Talagayev, V., ... & Bouvier, M. (2024). Pharmacological fingerprint of antipsychotic drugs at the serotonin 5-HT2A receptor. Molecular Psychiatry, 1-12. https://doi.org/10.1038/s41380-024-02531-7

Discovery of Small-Molecule TIM-3 Inhibitors for Acute Myeloid Leukemia Using Pharmacophore-Based Virtual Screening

Published in Journal of Medicinal Chemistry, 2023

Paper about a virtual screening campaign, which resulted in discovery novel TIM-3 inhibitors that are located in the lipophilic canyon of TIM-3.

Recommended citation: Abdel-Rahman, S. A., Talagayev, V., Pach, S., Wolber, G., & Gabr, M. T. (2023). Discovery of Small-Molecule TIM-3 Inhibitors for Acute Myeloid Leukemia Using Pharmacophore-Based Virtual Screening. Journal of Medicinal Chemistry, 66(16), 11464-11475. https://doi.org/10.1021/acs.jmedchem.3c00960

Designed multiple ligands for the treatment of type 2 diabetes mellitus and its complications: Discovery of (5-arylidene-4-oxo-2-thioxothiazolidin-3-yl)alkanoic acids active as novel dual-targeted PTP1B/AKR1B1 inhibitors

Published in European Journal of Medicinal Chemistry, 2023

Paper about ligands, which act as dual-targeted PTP1B/AKR1B1 inhibitors with my main work being the retrospective analysis of compounds with explanation of their activity.

Recommended citation: Maccari, R., Wolber, G., Genovese, M., Sardelli, G., Talagayev, V., Balestri, F., ... & Ottanà, R. (2023). Designed multiple ligands for the treatment of type 2 diabetes mellitus and its complications: Discovery of (5-arylidene-4-oxo-2-thioxothiazolidin-3-yl) alkanoic acids active as novel dual-targeted PTP1B/AKR1B1 inhibitors. European Journal of Medicinal Chemistry, 252, 115270. https://doi.org/10.1016/j.ejmech.2023.115270