Bolcato G - Search Results

1

[1,2,4]Triazolo[1,5-c]pyrimidines as Tools to Investigate A₃ Adenosine Receptors in Cancer Cell Lines.

Federico S, Persico M, Trevisan L, Biasinutto C, Bolcato G, Salmaso V, Da Ros T, Gianferrara T, Prencipe F, Kachler S, Klotz KN, Pacor S, Moro S, Spalluto G. Federico S, et al. Among authors: bolcato g. ChemMedChem. 2023 Nov 2;18(21):e202300299. doi: 10.1002/cmdc.202300299. Epub 2023 Sep 22. ChemMedChem. 2023. PMID: 37675643

2

Are Two Riboses Better Than One? The Case of the Recognition and Activation of Adenosine Receptors.

Gianferrara T, Pavan M, Bassani D, Vincenzi F, Pasquini S, Bolcato G, Varani K, Spalluto G, Federico S, Moro S. Gianferrara T, et al. Among authors: bolcato g. ChemMedChem. 2023 Jul 17;18(14):e202300109. doi: 10.1002/cmdc.202300109. Epub 2023 May 10. ChemMedChem. 2023. PMID: 37114338

3

A Computational Workflow for the Identification of Novel Fragments Acting as Inhibitors of the Activity of Protein Kinase CK1δ.

Bolcato G, Cescon E, Pavan M, Bissaro M, Bassani D, Federico S, Spalluto G, Sturlese M, Moro S. Bolcato G, et al. Int J Mol Sci. 2021 Sep 9;22(18):9741. doi: 10.3390/ijms22189741. Int J Mol Sci. 2021. PMID: 34575906 Free PMC article.

4

New Insights into Key Determinants for Adenosine 1 Receptor Antagonists Selectivity Using Supervised Molecular Dynamics Simulations.

Bolcato G, Bissaro M, Deganutti G, Sturlese M, Moro S. Bolcato G, et al. Biomolecules. 2020 May 7;10(5):732. doi: 10.3390/biom10050732. Biomolecules. 2020. PMID: 32392873 Free PMC article.

5

Inspecting the Mechanism of Fragment Hits Binding on SARS-CoV-2 M^pro by Using Supervised Molecular Dynamics (SuMD) Simulations.

Bissaro M, Bolcato G, Pavan M, Bassani D, Sturlese M, Moro S. Bissaro M, et al. Among authors: bolcato g. ChemMedChem. 2021 Jul 6;16(13):2075-2081. doi: 10.1002/cmdc.202100156. Epub 2021 May 6. ChemMedChem. 2021. PMID: 33797868 Free PMC article.

6

Ribose and Non-Ribose A2A Adenosine Receptor Agonists: Do They Share the Same Receptor Recognition Mechanism?

Bolcato G, Pavan M, Bassani D, Sturlese M, Moro S. Bolcato G, et al. Biomedicines. 2022 Feb 21;10(2):515. doi: 10.3390/biomedicines10020515. Biomedicines. 2022. PMID: 35203724 Free PMC article.

7

Comparing Fragment Binding Poses Prediction Using HSP90 as a Key Study: When Bound Water Makes the Difference.

Bolcato G, Bissaro M, Sturlese M, Moro S. Bolcato G, et al. Molecules. 2020 Oct 12;25(20):4651. doi: 10.3390/molecules25204651. Molecules. 2020. PMID: 33053878 Free PMC article.

8

Scaffold Repurposing of in-House Chemical Library toward the Identification of New Casein Kinase 1 δ Inhibitors.

Cescon E, Bolcato G, Federico S, Bissaro M, Valentini A, Ferlin MG, Spalluto G, Sturlese M, Moro S. Cescon E, et al. Among authors: bolcato g. ACS Med Chem Lett. 2020 Apr 28;11(6):1168-1174. doi: 10.1021/acsmedchemlett.0c00028. eCollection 2020 Jun 11. ACS Med Chem Lett. 2020. PMID: 32550997 Free PMC article.

9

Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332.

Pavan M, Bolcato G, Bassani D, Sturlese M, Moro S. Pavan M, et al. Among authors: bolcato g. J Enzyme Inhib Med Chem. 2021 Dec;36(1):1646-1650. doi: 10.1080/14756366.2021.1954919. J Enzyme Inhib Med Chem. 2021. PMID: 34289752 Free PMC article.

10

Revisiting the Allosteric Regulation of Sodium Cation on the Binding of Adenosine at the Human A_2A Adenosine Receptor: Insights from Supervised Molecular Dynamics (SuMD) Simulations.

Bissaro M, Bolcato G, Deganutti G, Sturlese M, Moro S. Bissaro M, et al. Among authors: bolcato g. Molecules. 2019 Jul 29;24(15):2752. doi: 10.3390/molecules24152752. Molecules. 2019. PMID: 31362426 Free PMC article.

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