Hijacking SARS-Cov-2/ACE2 receptor interaction by natural and semi-synthetic steroidal agents acting on functional pockets on the receptor binding domain A Carino, F Moraca, B Fiorillo, S Marchianò, V Sepe, M Biagioli, ... Frontiers in chemistry 8, 2020 | 101 | 2020 |
Discovery of a AHR pelargonidin agonist that counter-regulates Ace2 expression and attenuates ACE2-SARS-CoV-2 interaction M Biagioli, S Marchianò, R Roselli, C Di Giorgio, R Bellini, M Bordoni, ... Biochemical Pharmacology 188, 114564, 2021 | 22 | 2021 |
Discovery of Bile Acid Derivatives as Potent ACE2 Activators by Virtual Screening and Essential Dynamics B Fiorillo, S Marchianò, F Moraca, V Sepe, A Carino, P Rapacciuolo, ... Journal of Chemical Information and Modeling, 2021 | 17 | 2021 |
The TBC1D31/praja2 complex controls primary ciliogenesis through PKA‐directed OFD1 ubiquitylation E Senatore, F Chiuso, L Rinaldi, D Intartaglia, R Delle Donne, E Pedone, ... The EMBO journal 40 (10), e106503, 2021 | 16 | 2021 |
Combinatorial targeting of GPBAR1 and CYSLTR1 reveals a mechanistic role for bile acids and leukotrienes in drug induced liver injury M Biagioli, S Marchianò, C di Giorgio, R Roselli, M Bordoni, R Bellini, ... Hepatology, 2022 | 8* | 2022 |
Discovery of a Potent and Orally Active Dual GPBAR1/CysLT1R Modulator for the Treatment of Metabolic Fatty Liver Disease. Front. Pharmacol. 13: 858137. doi: 10.3389/fphar. 2022 … S Fiorucci, P Rapacciuolo, B Fiorillo, R Roselli, S Marchianò, C Di Giorgio, ... Frontiers in Pharmacology| www. frontiersin. org 13, 2022 | 6 | 2022 |
Discovery of a Novel Class of Dual GPBAR1 Agonists–RORγt Inverse Agonists for the Treatment of IL-17-Mediated Disorders B Fiorillo, R Roselli, C Finamore, M Biagioli, C di Giorgio, M Bordoni, ... ACS Omega, 2023 | 4 | 2023 |
Structural Basis for Developing Multitarget Compounds Acting on Cysteinyl Leukotriene Receptor 1 and G-Protein-Coupled Bile Acid Receptor 1 B Fiorillo, V Sepe, P Conflitti, R Roselli, M Biagioli, S Marchianò, ... Journal of medicinal chemistry, 2021 | 4 | 2021 |
Expanding the Library of 1, 2, 4-Oxadiazole Derivatives: Discovery of New Farnesoid X Receptor (FXR) Antagonists/Pregnane X Receptor (PXR) Agonists C Finamore, C Festa, B Fiorillo, FSD Leva, R Roselli, S Marchianò, ... Molecules 28 (6), 2840, 2023 | 2 | 2023 |
Computational characterization of the binding mode and mechanism of action of tricyclic small molecules at 5-HT1E and 5-HT1F receptors B Fiorillo, G Zilberg, D Wacker, M Filizola Biophysical Journal 122 (3), 509a-510a, 2023 | 1 | 2023 |
Metadynamics simulations leveraged by statistical analyses and artificial intelligence-based tools to inform the discovery of G protein-coupled receptor ligands L Salas-Estrada, B Fiorillo, M Filizola Frontiers in Endocrinology 13, 2022 | 1 | 2022 |
Molecular Basis for Non-Covalent, Non-Competitive FAAH Inhibition CM Morgillo, A Lupia, A Deplano, L Pirone, B Fiorillo, E Pedone, ... International Journal of Molecular Sciences 23 (24), 15502, 2022 | 1 | 2022 |
AI-assisted de novo design of selective κ-opioid receptor antagonists for the treatment of opioid addiction LLAS Estrada, D Provasi, JML Ribeiro, B Fiorillo, M Filizola Biophysical Journal 122 (3), 511a, 2023 | | 2023 |