Carosati E - Search Results

1

Comparison of ligand-based and structure-based 3D-QSAR approaches: a case study on (aryl-)bridged 2-aminobenzonitriles inhibiting HIV-1 reverse transcriptase.

Sciabola S, Carosati E, Baroni M, Mannhold R. Sciabola S, et al. Among authors: carosati e. J Med Chem. 2005 Jun 2;48(11):3756-67. doi: 10.1021/jm049162m. J Med Chem. 2005. PMID: 15916427

2

Hydrogen bonding interactions of covalently bonded fluorine atoms: from crystallographic data to a new angular function in the GRID force field.

Carosati E, Sciabola S, Cruciani G. Carosati E, et al. J Med Chem. 2004 Oct 7;47(21):5114-25. doi: 10.1021/jm0498349. J Med Chem. 2004. PMID: 15456255

3

Binding studies and GRIND/ALMOND-based 3D QSAR analysis of benzothiazine type K(ATP)-channel openers.

Carosati E, Lemoine H, Spogli R, Grittner D, Mannhold R, Tabarrini O, Sabatini S, Cecchetti V. Carosati E, et al. Bioorg Med Chem. 2005 Oct 1;13(19):5581-91. doi: 10.1016/j.bmc.2005.06.010. Bioorg Med Chem. 2005. PMID: 16002299

4

Virtual screening for novel openers of pancreatic K(ATP) channels.

Carosati E, Mannhold R, Wahl P, Hansen JB, Fremming T, Zamora I, Cianchetta G, Baroni M. Carosati E, et al. J Med Chem. 2007 May 3;50(9):2117-26. doi: 10.1021/jm061440p. Epub 2007 Apr 11. J Med Chem. 2007. PMID: 17425298

5

Novel TOPP descriptors in 3D-QSAR analysis of apoptosis inducing 4-aryl-4H-chromenes: comparison versus other 2D- and 3D-descriptors.

Sciabola S, Carosati E, Cucurull-Sanchez L, Baroni M, Mannhold R. Sciabola S, et al. Among authors: carosati e. Bioorg Med Chem. 2007 Oct 1;15(19):6450-62. doi: 10.1016/j.bmc.2007.06.051. Epub 2007 Jun 30. Bioorg Med Chem. 2007. PMID: 17658263

6

QSAR modeling and data mining link Torsades de Pointes risk to the interplay of extent of metabolism, active transport, and HERG liability.

Broccatelli F, Mannhold R, Moriconi A, Giuli S, Carosati E. Broccatelli F, et al. Among authors: carosati e. Mol Pharm. 2012 Aug 6;9(8):2290-301. doi: 10.1021/mp300156r. Epub 2012 Jul 13. Mol Pharm. 2012. PMID: 22742658

7

Playing with opening and closing of heterocycles: using the cusmano-ruccia reaction to develop a novel class of oxadiazolothiazinones, active as calcium channel modulators and P-glycoprotein inhibitors.

Spinelli D, Budriesi R, Cosimelli B, Severi E, Micucci M, Baroni M, Fusi F, Ioan P, Cross S, Frosini M, Saponara S, Matucci R, Rosano C, Viale M, Chiarini A, Carosati E. Spinelli D, et al. Among authors: carosati e. Molecules. 2014 Oct 14;19(10):16543-72. doi: 10.3390/molecules191016543. Molecules. 2014. PMID: 25317581 Free PMC article.

8

Discovery of Novel, Potent, and Specific Cell-Death Inducers in the Jurkat Acute Lymphoblastic Leukemia Cell Line.

Carosati E, van den Höfel N, Reif M, Randazzo GM, Stanitzki B, Stevens J, Gabbert HE, Cruciani G, Mannhold R, Mahotka C. Carosati E, et al. ChemMedChem. 2015 Oct;10(10):1700-6. doi: 10.1002/cmdc.201500245. Epub 2015 Aug 12. ChemMedChem. 2015. PMID: 26267799

9

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: carosati e. 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.

10

Calcium channel antagonists discovered by a multidisciplinary approach.

Carosati E, Cruciani G, Chiarini A, Budriesi R, Ioan P, Spisani R, Spinelli D, Cosimelli B, Fusi F, Frosini M, Matucci R, Gasparrini F, Ciogli A, Stephens PJ, Devlin FJ. Carosati E, et al. J Med Chem. 2006 Aug 24;49(17):5206-16. doi: 10.1021/jm0604373. J Med Chem. 2006. PMID: 16913709

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