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261. Redenti S, Marcovih I, De Vita T, Perez C, De Zorzi R, Demitri N, Perez DI, Bottegoni G, Bisignano P, Bissaro M, Moro S, Martinez A, Storici P, Spalluto G, Cavalli A, Federico S. "A Triazolotriazine-based Dual GSK-3β/CK-1δ Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition."  ChemMedChem. (2018) in press

260. Margiotta E, Deganutti G, Moro S. "Could the presence of sodium ion influence the accuracy and precision of the ligand-posing in the human A2A adenosine receptor orthosteric binding site using a molecular docking approach? Insights from Dockbench." J Comput Aided Mol Des. (2018) in press

259. Bissaro M, Federico S, Salmaso V, Sturlese M, Spalluto G, Moro S. "Targeting  protein kinase CK1δ with Riluzole: could it be one of the possible  missing bricks to interpret its effect in the treatment of ALS from a  molecular point of view?" ChemMedChem (2018) in press

258. Salmaso V, Moro S. "Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview."  Front Pharmacol. 22, 9, 923- .

257. Federico S, Margiotta E, Salmaso V, Pastorin G, Kachler S, Klotz KN, Moro S, Spalluto G. "[1,2,4]Triazolo[1,5-c]pyrimidines  as adenosine receptor antagonists: Modifications at the 8 position to  reach selectivity towards A3 adenosine receptor subtype."  Eur J Med Chem. 5, 157, 837-851.

256. Pandya AN, Baraiya AB, Jalani HB, Pandya D, Kaila JC, Kachler S, Salmaso V, Moro S, Klotz KN, Vasu KK. "Discovery of 2-aminoimidazole and 2-amino imidazolyl-thiazoles as non-xanthine human adenosine A3 receptor antagonists: SAR and molecular modeling studies."  Medchemcomm. 13; 9, 676-684 (2018)

255. Sabbadin D, Salmaso V, Sturlese M, Moro S. "Supervised Molecular Dynamics (SuMD) Approaches in Drug Design." Methods Mol Biol. 1824, 287-298 (2018)

254. Deganutti G, Salmaso V, Moro S. "Could Adenosine Recognize its Receptors with a Stoichiometry Other than 1 : 1?" Mol Inf (2018) in press

253. Salmaso V, Sturlese M, Cuzzolin A, Moro S. "Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2" J Comput Aided Mol Des. 32, 251-264 (2018)

252. Cuzzolin A, Deganutti G, Salmaso V, Sturlese M, Moro S. "AquaMMapS: an alternative tool to monitor the role of water molecules during protein-ligand association." ChemMedChem. 1, 1-13 (2018)

251. Bortolozzi R, Mattiuzzo E, Dal Pra M, Sturlese M, Moro S, Hamel E, Carta D, Viola G, Ferlin MG. "Targeting tubulin polymerization by novel 7-aryl-pyrroloquinolinones: Synthesis, biological activity and SARs." Eur J Med Chem. 1, 244-258 (2018)

250. Deganutti G, Zhukov A, Deflorian F, Federico S, Spalluto G, Cooke RM, Moro S, Mason JS, Bortolato A. "Impact of protein-ligand solvation and desolvation on transition state thermodynamic properties of adenosine A2A ligand binding kinetics." 5, 16 (2017)

249. Malvacio I, Cuzzolin A, Sturlese M, Vera DMA, Moyano EL, Moro S. "Synthesis  and preliminary structure-activity relationship study of  2-aryl-2H-pyrazolo[4,3-c]quinolin-3-ones as potential checkpoint kinase 1  (Chk1) inhibitors." J Enzyme Inhib Med Chem. 33, 171-183 (2017)   

248. Bertini S, Ghilardi E, Asso V, Minutolo F, Rapposelli S, Digiacomo M, Saccomanni G, Salmaso V, Sturlese M, Moro S, Macchia M, Manera C."Sulfonamido-derivatives of unsubstituted carbazoles as BACE1 inhibitors." Bioorg Med Chem Lett. 27, 4812-4816 (2017)  

247. Deganutti G, Welihinda A, Moro S. "Comparison of the Human A2A Adenosine Receptor Recognition by Adenosine and Inosine: New Insight from Supervised Molecular Dynamics Simulations." ChemMedChem.12, 1319-1326 (2017)

246. Deganutti G, Moro S. "Supporting  the Identification of Novel Fragment-Based Positive Allosteric  Modulators Using a Supervised Molecular Dynamics Approach: A  Retrospective Analysis Considering the Human A2A Adenosine Receptor as a  Key Example." Molecules 22, 818 (2017)

245. Sissi C, Dovigo L, Greco ML, Ciancetta A, Moro S, Trzciński JW, Mancin F, Rossi P, Spalluto G, Tecilla P "Conjugates between minor groove binders and Zn(II)-tach complexes: Synthesis, characterization, and interaction with plasmid DNA" Tetrahedron. 73, 3014-3024 (2017).

244. Deganutti G, Moro S. "Estimation of kinetic and thermodynamic ligand-binding parameters using computational strategies." Future Med Chem. 9, 507-523 (2017)

243. Salmaso V, Sturlese M, Cuzzolin A, Moro S. "Exploring Protein-Peptide Recognition Pathways Using a Supervised Molecular Dynamics Approach." Structure 25, 655-662 (2017)

242. Zusso M, Mercanti G, Belluti F, Di Martino RM, Pagetta A, Marinelli C, Brun P, Ragazzi E, Lo R, Stifani S, Giusti P, Moro S. "Phenolic  1,3-diketones attenuate lipopolysaccharide-induced inflammatory  response by an alternative magnesium-mediated mechanism." Br J Pharmacol. 174, 1090-1103 (2017)  

241. Squarcialupi L, Betti M, Catarzi D, Varano F, Falsini M, Ravani A, Pasquini S, Vincenzi F, Salmaso V, Sturlese M, Varani K, Moro S, Colotta V. "The role of 5-arylalkylamino- and 5-piperazino- moieties on the 7-aminopyrazolo[4,3-d]pyrimidine core in affecting adenosine A1 and A2A receptor affinity and selectivity profiles." J Enzyme Inhib Med Chem. 32, 248-263 (2017).
 
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