Cruciani G - Search Results

1

Lipostar, a Comprehensive Platform-Neutral Cheminformatics Tool for Lipidomics.

Goracci L, Tortorella S, Tiberi P, Pellegrino RM, Di Veroli A, Valeri A, Cruciani G. Goracci L, et al. Among authors: cruciani g. Anal Chem. 2017 Jun 6;89(11):6257-6264. doi: 10.1021/acs.analchem.7b01259. Epub 2017 May 12. Anal Chem. 2017. PMID: 28471643

2

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

3

Extending pKa prediction accuracy: high-throughput pKa measurements to understand pKa modulation of new chemical series.

Milletti F, Storchi L, Goracci L, Bendels S, Wagner B, Kansy M, Cruciani G. Milletti F, et al. Among authors: cruciani g. Eur J Med Chem. 2010 Sep;45(9):4270-9. doi: 10.1016/j.ejmech.2010.06.026. Epub 2010 Jun 23. Eur J Med Chem. 2010. PMID: 20633962

4

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.

5

Small molecule inhibitors of influenza A and B viruses that act by disrupting subunit interactions of the viral polymerase.

Muratore G, Goracci L, Mercorelli B, Foeglein Á, Digard P, Cruciani G, Palù G, Loregian A. Muratore G, et al. Among authors: cruciani g. Proc Natl Acad Sci U S A. 2012 Apr 17;109(16):6247-52. doi: 10.1073/pnas.1119817109. Epub 2012 Apr 2. Proc Natl Acad Sci U S A. 2012. PMID: 22474359 Free PMC article.

6

Human cytomegalovirus inhibitor AL18 also possesses activity against influenza A and B viruses.

Muratore G, Mercorelli B, Goracci L, Cruciani G, Digard P, Palù G, Loregian A. Muratore G, et al. Among authors: cruciani g. Antimicrob Agents Chemother. 2012 Nov;56(11):6009-13. doi: 10.1128/AAC.01219-12. Epub 2012 Aug 20. Antimicrob Agents Chemother. 2012. PMID: 22908168 Free PMC article.

7

GRID-based three-dimensional pharmacophores I: FLAPpharm, a novel approach for pharmacophore elucidation.

Cross S, Baroni M, Goracci L, Cruciani G. Cross S, et al. Among authors: cruciani g. J Chem Inf Model. 2012 Oct 22;52(10):2587-98. doi: 10.1021/ci300153d. Epub 2012 Sep 21. J Chem Inf Model. 2012. PMID: 22970894

8

Modeling phospholipidosis induction: reliability and warnings.

Goracci L, Ceccarelli M, Bonelli D, Cruciani G. Goracci L, et al. Among authors: cruciani g. J Chem Inf Model. 2013 Jun 24;53(6):1436-46. doi: 10.1021/ci400113t. Epub 2013 Jun 5. J Chem Inf Model. 2013. PMID: 23692521

9

Exposition and reactivity optimization to predict sites of metabolism in chemicals.

Cruciani G, Baroni M, Benedetti P, Goracci L, Fortuna CG. Cruciani G, et al. Drug Discov Today Technol. 2013 Spring;10(1):e155-65. doi: 10.1016/j.ddtec.2012.11.001. Drug Discov Today Technol. 2013. PMID: 24050245

10

Long-chain metabolites of α-tocopherol occur in human serum and inhibit macrophage foam cell formation in vitro.

Wallert M, Mosig S, Rennert K, Funke H, Ristow M, Pellegrino RM, Cruciani G, Galli F, Lorkowski S, Birringer M. Wallert M, et al. Among authors: cruciani g. Free Radic Biol Med. 2014 Mar;68:43-51. doi: 10.1016/j.freeradbiomed.2013.11.009. Epub 2013 Dec 1. Free Radic Biol Med. 2014. PMID: 24296243

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