Nuti R - Search Results

1

Pharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase α1.

Serrán-Aguilera L, Nuti R, López-Cara LC, Mezo MÁ, Macchiarulo A, Entrena A, Hurtado-Guerrero R. Serrán-Aguilera L, et al. Among authors: nuti r. Mol Inform. 2015 Jun;34(6-7):458-66. doi: 10.1002/minf.201400140. Epub 2015 Jun 18. Mol Inform. 2015. PMID: 27490389

2

Choline kinase active site provides features for designing versatile inhibitors.

Serran-Aguilera L, Nuti R, López-Cara LC, Ríos-Marco P, Carrasco MP, Marco C, Entrena A, Macchiarulo A, Hurtado-Guerrero R. Serran-Aguilera L, et al. Among authors: nuti r. Curr Top Med Chem. 2014;14(23):2684-93. doi: 10.2174/1568026614666141216093337. Curr Top Med Chem. 2014. PMID: 25515750

3

Highlights at the gate of tryptophan catabolism: a review on the mechanisms of activation and regulation of indoleamine 2,3-dioxygenase (IDO), a novel target in cancer disease.

Macchiarulo A, Camaioni E, Nuti R, Pellicciari R. Macchiarulo A, et al. Among authors: nuti r. Amino Acids. 2009 Jul;37(2):219-29. doi: 10.1007/s00726-008-0137-3. Epub 2008 Jul 9. Amino Acids. 2009. PMID: 18612775 Review.

4

Charting the chemical space of target sites: insights into the binding modes of amine and amidine groups.

Macchiarulo A, Nuti R, Eren G, Pellicciari R. Macchiarulo A, et al. Among authors: nuti r. J Chem Inf Model. 2009 Apr;49(4):900-12. doi: 10.1021/ci800414v. J Chem Inf Model. 2009. PMID: 19292498

5

Fitting the complexity of GPCRs modulation into simple hypotheses of ligand design.

Custodi C, Nuti R, Oprea TI, Macchiarulo A. Custodi C, et al. Among authors: nuti r. J Mol Graph Model. 2012 Sep;38:70-81. doi: 10.1016/j.jmgm.2012.07.002. Epub 2012 Jul 20. J Mol Graph Model. 2012. PMID: 23079642 Free PMC article.

6

Patented TGR5 modulators: a review (2006 - present).

Gioiello A, Rosatelli E, Nuti R, Macchiarulo A, Pellicciari R. Gioiello A, et al. Among authors: nuti r. Expert Opin Ther Pat. 2012 Dec;22(12):1399-414. doi: 10.1517/13543776.2012.733000. Epub 2012 Oct 6. Expert Opin Ther Pat. 2012. PMID: 23039746 Review.

7

Molecular docking and spatial coarse graining simulations as tools to investigate substrate recognition, enhancer binding and conformational transitions in indoleamine-2,3-dioxygenase (IDO).

Macchiarulo A, Nuti R, Bellocchi D, Camaioni E, Pellicciari R. Macchiarulo A, et al. Among authors: nuti r. Biochim Biophys Acta. 2007 Aug;1774(8):1058-68. doi: 10.1016/j.bbapap.2007.06.007. Epub 2007 Jul 6. Biochim Biophys Acta. 2007. PMID: 17644054

8

Ligand binding and functional selectivity of L-tryptophan metabolites at the mouse aryl hydrocarbon receptor (mAhR).

Nuti R, Gargaro M, Matino D, Dolciami D, Grohmann U, Puccetti P, Fallarino F, Macchiarulo A. Nuti R, et al. J Chem Inf Model. 2014 Dec 22;54(12):3373-83. doi: 10.1021/ci5005459. Epub 2014 Nov 21. J Chem Inf Model. 2014. PMID: 25402742

9

Exploring the effect of PARP-1 flexibility in docking studies.

Antolin AA, Carotti A, Nuti R, Hakkaya A, Camaioni E, Mestres J, Pellicciari R, Macchiarulo A. Antolin AA, et al. Among authors: nuti r. J Mol Graph Model. 2013 Sep;45:192-201. doi: 10.1016/j.jmgm.2013.08.006. Epub 2013 Sep 3. J Mol Graph Model. 2013. PMID: 24056306

10

Molecular field analysis and 3D-quantitative structure-activity relationship study (MFA 3D-QSAR) unveil novel features of bile acid recognition at TGR5.

Macchiarulo A, Gioiello A, Thomas C, Massarotti A, Nuti R, Rosatelli E, Sabbatini P, Schoonjans K, Auwerx J, Pellicciari R. Macchiarulo A, et al. Among authors: nuti r. J Chem Inf Model. 2008 Sep;48(9):1792-801. doi: 10.1021/ci800196h. Epub 2008 Aug 13. J Chem Inf Model. 2008. PMID: 18698841

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