Foto del docente

Andrea Cavalli

Full Professor

Department of Pharmacy and Biotechnology

Academic discipline: CHIM/08 Pharmaceutical Chemistry

Coordinator of PhD Programme in Data Science and Computation


Di Martino G. P.; Masetti M.; Ceccarini L.; Cavalli A.; Recanatini M., An automated docking protocol for HERG channel blockers., «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2013, 53, pp. 159 - 175 [Scientific article]

Lodola A.; Branduardi D.; De Vivo M.; Capoferri L.; Mor M.; Piomelli D.; Cavalli A., A Catalytic Mechanism for Cysteine N-Terminal Nucleophile Hydrolases, as Revealed by Free Energy Simulations, «PLOS ONE», 2012, 7, pp. e32397 - e32397 [Scientific article]

Fu J.; Bottegoni G.; Sasso O.; Bertorelli R.; Rocchia W.; Masetti M.; Guijarro A.; Lodola A.; Armirotti A.; Garau G.; Bandiera T.; Reggiani A.; Mor M.; Cavalli A.; Piomelli D., A catalytically silent FAAH-1 variant drives anandamide transport in neurons., «NATURE NEUROSCIENCE», 2012, 15, pp. 64 - 69 [Scientific article]

G. P. Chiriano; A. De Simone; F. Mancini; D. I. Perez; A. Cavalli; M. L. Bolognesi; G. Legname; A. Martinez; V. Andrisano; P. Carloni; M. Roberti, A small chemical library of 2-aminoimidazole derivatives as BACE-1 inhibitors: structure-based design, synthesis, and biological evaluation, «EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY», 2012, 48, pp. 206 - 213 [Scientific article]

Bottegoni G.; Rocchia W.; Cavalli A., Application of Conformational Clustering in Protein–Ligand Docking, in: Methods in Molecular Biology, New York, Springer Science+Business Media LLC, 2012, pp. 169 - 186 [Chapter or essay]

Kacker P.; Masetti M.; Mangold M.; Bottegoni G.; Cavalli A., Combining Dyad Protonation and Active Site Plasticity in BACE-1 Structure-Based Drug Design, «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2012, 52, pp. 1079 - 1085 [Scientific article]

Cavalli A.; Buonfiglio R.; Ianni C.; Masetti M.; Ceccarini L.; Caves R.; Chang M.W.; Mitcheson J.S.; Roberti M.; Recanatini M., Computational design and discovery of "minimally structured" hERG blockers., «JOURNAL OF MEDICINAL CHEMISTRY», 2012, 55, pp. 4010 - 4014 [Scientific article]

Grazioso G.; Limongelli V.; Branduardi D.; Novellino E.; De Micheli C.; Cavalli A.; Parrinello M., Investigating the mechanism of substrate uptake and release in the glutamate transporter homologue Glt(Ph) through metadynamics simulations., «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2012, 134, pp. 453 - 463 [Scientific article]

D. Scarpi; D. Cirelli; C. Matrone; G. Castronovo; P. Rosini; E.G. Occhiato; F. Romano; L. Bartali; A.M. Clemente; G. Bottegoni; A. Cavalli; G. De Chiara; P. Bonini; P. Calissano; A.T. Palamara; E. Garaci; M.G. Torcia; A. Guarna; F. Cozzolino, Low molecular weight, non-peptidic agonists of TrkA receptor with NGF-mimetic activity, «CELL DEATH & DISEASE», 2012, 3, pp. e339 - e352 [Scientific article]

Cavalli A.; Bolognesi M.L., Multitargeted drugs for the treatment of Alzheimer's disease, in: Polypharmacology in drug discovery, HOBOKEN, Wiley, 2012, pp. 441 - 458 [Chapter or essay]

Baraldi P.G.; Baraldi S.; Saponaro G.; Preti D.; Romagnoli R.; Piccagli L.; Cavalli A.; Recanatini M.; Moorman A.R.; Zaid A.N.; Varani K.; Borea P.A.; Tabrizi M.A., Novel 1,3-dipropyl-8-(3-benzimidazol-2-yl-methoxy-1-methylpyrazol-5-yl)xanthines as potent and selective A₂B adenosine receptor antagonists., «JOURNAL OF MEDICINAL CHEMISTRY», 2012, 55, pp. 797 - 811 [Scientific article]

Bottegoni G.; Favia A.D.; Recanatini M.; Cavalli A., The role of fragment-based and computational methods in polypharmacology., «DRUG DISCOVERY TODAY», 2012, 17, pp. 23 - 34 [Scientific article]

Bicego M.; Favia A.D.; Bisignano P.; Cavalli A.; Murino V., AN INNOVATIVE PROTOCOL FOR COMPARING PROTEIN BINDING SITES VIA ATOMIC GRID MAPS, in: Proceedings of the International Conference on Knowledge Discovery and Information Retrieval, s.l, SciTePress, 2011, pp. 413 - 422 [Chapter or essay]

F. Belluti; M. Bartolini; G. Bottegoni; A. Bisi; A. Cavalli; V. Andrisano; A. Rampa, Benzophenone-based derivatives: A novel series of potent and selective dual inhibitors of acetylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation, «EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY», 2011, 46, pp. 1682 - 1693 [Scientific article]

Palermo G.; Branduardi D.; Masetti M.; Lodola A.; Mor M.; Piomelli D.; Cavalli A.; De Vivo M., Covalent Inhibitors of Fatty Acid Amide Hydrolase: A Rationale for the Activity of Piperidine and Piperazine Aryl Ureas, «JOURNAL OF MEDICINAL CHEMISTRY», 2011, 54, pp. 6612 - 6623 [Scientific article]

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