Moro S - Search Results

1

Perturbation of fluid dynamics properties of water molecules during G protein-coupled receptor-ligand recognition: the human A2A adenosine receptor as a key study.

Sabbadin D, Ciancetta A, Moro S. Sabbadin D, et al. Among authors: moro s. J Chem Inf Model. 2014 Oct 27;54(10):2846-55. doi: 10.1021/ci500397y. Epub 2014 Oct 6. J Chem Inf Model. 2014. PMID: 25245783

2

Molecular modeling studies of human A3 adenosine antagonists: structural homology and receptor docking.

Moro S, Li AH, Jacobson KA. Moro S, et al. J Chem Inf Comput Sci. 1998 Nov-Dec;38(6):1239-48. doi: 10.1021/ci980080e. J Chem Inf Comput Sci. 1998. PMID: 9845970 Free PMC article.

3

Techniques: Recent developments in computer-aided engineering of GPCR ligands using the human adenosine A3 receptor as an example.

Moro S, Spalluto G, Jacobson KA. Moro S, et al. Trends Pharmacol Sci. 2005 Jan;26(1):44-51. doi: 10.1016/j.tips.2004.11.006. Trends Pharmacol Sci. 2005. PMID: 15629204 Review.

4

Combined target-based and ligand-based drug design approach as a tool to define a novel 3D-pharmacophore model of human A3 adenosine receptor antagonists: pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives as a key study.

Moro S, Braiuca P, Deflorian F, Ferrari C, Pastorin G, Cacciari B, Baraldi PG, Varani K, Borea PA, Spalluto G. Moro S, et al. J Med Chem. 2005 Jan 13;48(1):152-62. doi: 10.1021/jm049662f. J Med Chem. 2005. PMID: 15634009

5

Autocorrelation of molecular electrostatic potential surface properties combined with partial least squares analysis as new strategy for the prediction of the activity of human A(3) adenosine receptor antagonists.

Moro S, Bacilieri M, Cacciari B, Spalluto G. Moro S, et al. J Med Chem. 2005 Sep 8;48(18):5698-704. doi: 10.1021/jm0502440. J Med Chem. 2005. PMID: 16134938

6

Autocorrelation of molecular electrostatic potential surface properties combined with partial least squares analysis as alternative attractive tool to generate ligand-based 3D-QSARs.

Moro S, Bacilieri M, Ferrari C, Spalluto G. Moro S, et al. Curr Drug Discov Technol. 2005 Mar;2(1):13-21. doi: 10.2174/1570163053175439. Curr Drug Discov Technol. 2005. PMID: 16472237

7

Novel strategies for the design of new potent and selective human A3 receptor antagonists: an update.

Moro S, Deflorian F, Bacilieri M, Spalluto G. Moro S, et al. Curr Med Chem. 2006;13(6):639-45. doi: 10.2174/092986706776055670. Curr Med Chem. 2006. PMID: 16529556 Review.

8

The application of a 3D-QSAR (autoMEP/PLS) approach as an efficient pharmacodynamic-driven filtering method for small-sized virtual library: application to a lead optimization of a human A3 adenosine receptor antagonist.

Moro S, Bacilieri M, Cacciari B, Bolcato C, Cusan C, Pastorin G, Klotz KN, Spalluto G. Moro S, et al. Bioorg Med Chem. 2006 Jul 15;14(14):4923-32. doi: 10.1016/j.bmc.2006.03.010. Epub 2006 Mar 29. Bioorg Med Chem. 2006. PMID: 16564691

9

Ligand-based homology modeling as attractive tool to inspect GPCR structural plasticity.

Moro S, Deflorian F, Bacilieri M, Spalluto G. Moro S, et al. Curr Pharm Des. 2006;12(17):2175-85. doi: 10.2174/138161206777585265. Curr Pharm Des. 2006. PMID: 16796562 Review.

10

Ligand-based drug design methodologies in drug discovery process: an overview.

Bacilieri M, Moro S. Bacilieri M, et al. Among authors: moro s. Curr Drug Discov Technol. 2006 Sep;3(3):155-65. doi: 10.2174/157016306780136781. Curr Drug Discov Technol. 2006. PMID: 17311561 Review.

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