Caporuscio F - Search Results

1

Structure-Activity Relationships of Hexahydrocyclopenta[c]quinoline Derivatives as Allosteric Inhibitors of CDK2 and EGFR.

Carlino L, Christodoulou MS, Restelli V, Caporuscio F, Foschi F, Semrau MS, Costanzi E, Tinivella A, Pinzi L, Lo Presti L, Battistutta R, Storici P, Broggini M, Passarella D, Rastelli G. Carlino L, et al. Among authors: caporuscio f. ChemMedChem. 2018 Dec 20;13(24):2627-2634. doi: 10.1002/cmdc.201800687. Epub 2018 Nov 20. ChemMedChem. 2018. PMID: 30457710 Free article.

2

Molecular Dynamics Simulations and Classical Multidimensional Scaling Unveil New Metastable States in the Conformational Landscape of CDK2.

Pisani P, Caporuscio F, Carlino L, Rastelli G. Pisani P, et al. Among authors: caporuscio f. PLoS One. 2016 Apr 21;11(4):e0154066. doi: 10.1371/journal.pone.0154066. eCollection 2016. PLoS One. 2016. PMID: 27100206 Free PMC article.

3

Probing an Allosteric Pocket of CDK2 with Small Molecules.

Christodoulou MS, Caporuscio F, Restelli V, Carlino L, Cannazza G, Costanzi E, Citti C, Lo Presti L, Pisani P, Battistutta R, Broggini M, Passarella D, Rastelli G. Christodoulou MS, et al. Among authors: caporuscio f. ChemMedChem. 2017 Jan 5;12(1):33-41. doi: 10.1002/cmdc.201600474. Epub 2016 Dec 19. ChemMedChem. 2017. PMID: 27860401

4

Identification of small-molecule EGFR allosteric inhibitors by high-throughput docking.

Caporuscio F, Tinivella A, Restelli V, Semrau MS, Pinzi L, Storici P, Broggini M, Rastelli G. Caporuscio F, et al. Future Med Chem. 2018 Jul 1;10(13):1545-1553. doi: 10.4155/fmc-2018-0063. Epub 2018 May 16. Future Med Chem. 2018. PMID: 29766737

5

Structure-based design of potent aromatase inhibitors by high-throughput docking.

Caporuscio F, Rastelli G, Imbriano C, Del Rio A. Caporuscio F, et al. J Med Chem. 2011 Jun 23;54(12):4006-17. doi: 10.1021/jm2000689. Epub 2011 May 23. J Med Chem. 2011. PMID: 21604760

6

Selection of protein conformations for structure-based polypharmacology studies.

Pinzi L, Caporuscio F, Rastelli G. Pinzi L, et al. Among authors: caporuscio f. Drug Discov Today. 2018 Nov;23(11):1889-1896. doi: 10.1016/j.drudis.2018.08.007. Epub 2018 Aug 10. Drug Discov Today. 2018. PMID: 30099123 Free article. Review.

7

Exploiting computationally derived out-of-the-box protein conformations for drug design.

Caporuscio F, Rastelli G. Caporuscio F, et al. Future Med Chem. 2016 Oct;8(15):1887-1897. doi: 10.4155/fmc-2016-0098. Epub 2016 Sep 15. Future Med Chem. 2016. PMID: 27629935

8

Drug Repurposing and Polypharmacology to Fight SARS-CoV-2 Through Inhibition of the Main Protease.

Pinzi L, Tinivella A, Caporuscio F, Rastelli G. Pinzi L, et al. Among authors: caporuscio f. Front Pharmacol. 2021 Feb 22;12:636989. doi: 10.3389/fphar.2021.636989. eCollection 2021. Front Pharmacol. 2021. PMID: 33692695 Free PMC article.

9

Application of a post-docking procedure based on MM-PBSA and MM-GBSA on single and multiple protein conformations.

Sgobba M, Caporuscio F, Anighoro A, Portioli C, Rastelli G. Sgobba M, et al. Among authors: caporuscio f. Eur J Med Chem. 2012 Dec;58:431-40. doi: 10.1016/j.ejmech.2012.10.024. Epub 2012 Oct 25. Eur J Med Chem. 2012. PMID: 23153814

10

Discovery of Multitarget Antivirals Acting on Both the Dengue Virus NS5-NS3 Interaction and the Host Src/Fyn Kinases.

Vincetti P, Caporuscio F, Kaptein S, Gioiello A, Mancino V, Suzuki Y, Yamamoto N, Crespan E, Lossani A, Maga G, Rastelli G, Castagnolo D, Neyts J, Leyssen P, Costantino G, Radi M. Vincetti P, et al. Among authors: caporuscio f. J Med Chem. 2015 Jun 25;58(12):4964-75. doi: 10.1021/acs.jmedchem.5b00108. Epub 2015 Jun 15. J Med Chem. 2015. PMID: 26039671

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