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Combining selectivity and affinity predictions using an integrated Support Vector Machine (SVM) approach: An alternative tool to discriminate between the human adenosine A(2A) and A(3) receptor pyrazolo-triazolo-pyrimidine antagonists binding sites.
Michielan L, Bolcato C, Federico S, Cacciari B, Bacilieri M, Klotz KN, Kachler S, Pastorin G, Cardin R, Sperduti A, Spalluto G, Moro S. Michielan L, et al. Among authors: bolcato c. Bioorg Med Chem. 2009 Jul 15;17(14):5259-74. doi: 10.1016/j.bmc.2009.05.038. Epub 2009 May 21. Bioorg Med Chem. 2009. PMID: 19501513
A2B adenosine receptor antagonists: recent developments.
Cacciari B, Pastorin G, Bolcato C, Spalluto G, Bacilieri M, Moro S. Cacciari B, et al. Among authors: bolcato c. Mini Rev Med Chem. 2005 Dec;5(12):1053-60. doi: 10.2174/138955705774933374. Mini Rev Med Chem. 2005. PMID: 16375751 Review.
Synthesis and biological studies of a new series of 5-heteroarylcarbamoylaminopyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidines as human A3 adenosine receptor antagonists. Influence of the heteroaryl substituent on binding affinity and molecular modeling investigations.
Pastorin G, Da Ros T, Bolcato C, Montopoli C, Moro S, Cacciari B, Baraldi PG, Varani K, Borea PA, Spalluto G. Pastorin G, et al. Among authors: bolcato c. J Med Chem. 2006 Mar 9;49(5):1720-9. doi: 10.1021/jm051147+. J Med Chem. 2006. PMID: 16509587
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. Among authors: bolcato c. 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
Linear and nonlinear 3D-QSAR approaches in tandem with ligand-based homology modeling as a computational strategy to depict the pyrazolo-triazolo-pyrimidine antagonists binding site of the human adenosine A2A receptor.
Michielan L, Bacilieri M, Schiesaro A, Bolcato C, Pastorin G, Spalluto G, Cacciari B, Klotz KN, Kaseda C, Moro S. Michielan L, et al. Among authors: bolcato c. J Chem Inf Model. 2008 Feb;48(2):350-63. doi: 10.1021/ci700300w. Epub 2008 Jan 24. J Chem Inf Model. 2008. PMID: 18215030
14 results