Cruciani G - Search Results

1

On the Mechanism of Action of Anti-Inflammatory Activity of Hypericin: An In Silico Study Pointing to the Relevance of Janus Kinases Inhibition.

Dellafiora L, Galaverna G, Cruciani G, Dall'Asta C, Bruni R. Dellafiora L, et al. Among authors: cruciani g. Molecules. 2018 Nov 22;23(12):3058. doi: 10.3390/molecules23123058. Molecules. 2018. PMID: 30467287 Free PMC article.

2

Molecular modelling approach to evaluate poisoning of topoisomerase I by alternariol derivatives.

Dellafiora L, Dall'Asta C, Cruciani G, Galaverna G, Cozzini P. Dellafiora L, et al. Among authors: cruciani g. Food Chem. 2015 Dec 15;189:93-101. doi: 10.1016/j.foodchem.2015.02.083. Epub 2015 Feb 24. Food Chem. 2015. PMID: 26190606

3

Expanding the chemical space of human serine racemase inhibitors.

Dellafiora L, Marchetti M, Spyrakis F, Orlandi V, Campanini B, Cruciani G, Cozzini P, Mozzarelli A. Dellafiora L, et al. Among authors: cruciani g. Bioorg Med Chem Lett. 2015 Oct 1;25(19):4297-303. doi: 10.1016/j.bmcl.2015.07.081. Epub 2015 Aug 4. Bioorg Med Chem Lett. 2015. PMID: 26283510

4

Interaction of Mycotoxin Alternariol with Serum Albumin.

Fliszár-Nyúl E, Lemli B, Kunsági-Máté S, Dellafiora L, Dall'Asta C, Cruciani G, Pethő G, Poór M. Fliszár-Nyúl E, et al. Among authors: cruciani g. Int J Mol Sci. 2019 May 12;20(9):2352. doi: 10.3390/ijms20092352. Int J Mol Sci. 2019. PMID: 31083629 Free PMC article.

5

A computational study toward the "personalized" activity of alternariol - Does it matter for safe food at individual level?

Dellafiora L, Galaverna G, Cruciani G, Dall'Asta C. Dellafiora L, et al. Among authors: cruciani g. Food Chem Toxicol. 2019 Aug;130:199-206. doi: 10.1016/j.fct.2019.05.033. Epub 2019 May 22. Food Chem Toxicol. 2019. PMID: 31128219

6

Comparative molecular field analysis using GRID force-field and GOLPE variable selection methods in a study of inhibitors of glycogen phosphorylase b.

Cruciani G, Watson KA. Cruciani G, et al. J Med Chem. 1994 Aug 5;37(16):2589-601. doi: 10.1021/jm00042a012. J Med Chem. 1994. PMID: 8057302

7

Virtual screening identifies broad-spectrum β-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases.

Spyrakis F, Santucci M, Maso L, Cross S, Gianquinto E, Sannio F, Verdirosa F, De Luca F, Docquier JD, Cendron L, Tondi D, Venturelli A, Cruciani G, Costi MP. Spyrakis F, et al. Among authors: cruciani g. Sci Rep. 2020 Jul 29;10(1):12763. doi: 10.1038/s41598-020-69431-y. Sci Rep. 2020. PMID: 32728062 Free PMC article.

8

Binding of Androgen- and Estrogen-Like Flavonoids to Their Cognate (Non)Nuclear Receptors: A Comparison by Computational Prediction.

D'Arrigo G, Gianquinto E, Rossetti G, Cruciani G, Lorenzetti S, Spyrakis F. D'Arrigo G, et al. Among authors: cruciani g. Molecules. 2021 Mar 14;26(6):1613. doi: 10.3390/molecules26061613. Molecules. 2021. PMID: 33799482 Free PMC article.

9

In silico pKa prediction and ADME profiling.

Cruciani G, Milletti F, Storchi L, Sforna G, Goracci L. Cruciani G, et al. Chem Biodivers. 2009 Nov;6(11):1812-21. doi: 10.1002/cbdv.200900153. Chem Biodivers. 2009. PMID: 19937818

10

A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields.

Broccatelli F, Carosati E, Neri A, Frosini M, Goracci L, Oprea TI, Cruciani G. Broccatelli F, et al. Among authors: cruciani g. J Med Chem. 2011 Mar 24;54(6):1740-51. doi: 10.1021/jm101421d. Epub 2011 Feb 22. J Med Chem. 2011. PMID: 21341745 Free PMC article.

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