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

Publications

Bongarzone S; Tran HN; Cavalli A; Roberti M; Carloni P; Legname G; Bolognesi ML., Parallel Synthesis, Evaluation, and Preliminary Structure-Activity Relationship of 2,5-Diamino-1,4-benzoquinones as a Novel Class of Bivalent Anti-Prion Compound., «JOURNAL OF MEDICINAL CHEMISTRY», 2010, 53, pp. 8197 - 81201 [Scientific article]

Simoni E.; Bergamini C.; Fato R.; Tarozzi A.; Bains S.; Motterlini R.; Cavalli A.; Bolognesi M.L.; Minarini A.; Hrelia P.; Lenaz G.; Rosini M.; Melchiorre C., Polyamine conjugation of curcumin analogues toward the discovery of mitochondria-directed neuroprotective agents., «JOURNAL OF MEDICINAL CHEMISTRY», 2010, 53, pp. 7264 - 7268 [Scientific article]

ML Bolognesi; M Rosini; A Minarini; V Tumiatti; A Cavalli; M Bartolini; V Andrisano; R Fato; C Bergamini; C Melchiorre, Rational design of multitarget-directed antioxidants: merging memoquin and lipocrine molecular frameworks, in: Final Program and Poster Abstractsfor the 11th International Geneva/Springfield Symposium on Advances in Alzheimer Therapy, s.l, s.n, 2010, pp. 93 - 93 (atti di: 11th International Geneva/Springfield Symposium on Advances in Alzheimer Therapy, Geneva, Switzerland, March, 24-27, 2010) [Abstract]

Colizzi F.; Perozzo R.; Scapozza L.; Recanatini M.; Cavalli A., Single-molecule pulling simulations can discern active from inactive enzyme inhibitors, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2010, 132, pp. 7361 - 7371 [Scientific article]

S. Rizzo; M. Bartolini; L. Ceccarini; L. Piazzi ; S. Gobbi; A. Cavalli; M. Recanatini; V. Andrisano; A. Rampa, Targeting Alzheimer’s disease: Novel indanone hybrids bearing a pharmacophoric fragment of AP2238, «BIOORGANIC & MEDICINAL CHEMISTRY», 2010, 18, pp. 1749 - 1760 [Scientific article]

Cucinotta C.S.; Kosa M.; Melchiorre P.; Cavalli A.; Gervasio F.L., Bifunctional Catalysis by Natural Cinchona Alkaloids: A Mechanism Explained, «CHEMISTRY-A EUROPEAN JOURNAL», 2009, 15, pp. 7913 - 7921 [Scientific article]

Simona F.; Magistrato A.; Dal Peraro M.; Cavalli A.; Villa A.J.; Carloni P., Common Mechanistic Features among Metallo-beta-lactamases A COMPUTATIONAL STUDY OF AEROMONAS HYDROPHILA CphA ENZYME, «THE JOURNAL OF BIOLOGICAL CHEMISTRY», 2009, 284, pp. 28164 - 28171 [Scientific article]

F. Belluti; L. Piazzi; A. Bisi; S. Gobbi; M. Bartolini; A. Cavalli; P. Valenti; A. Rampa, Design, synthesis, and evaluation of benzophenone derivatives as novel acetylcholinesterase inhibitors, «EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY», 2009, 44, pp. 1341 - 1348 [Scientific article]

Kranjc A.; Bongarzone S.; Rossetti G.; Biarnes X.; Cavalli A.; Bolognesi M. L.; Roberti M.; Legname G.; Carloni P., Docking ligands on protein surfaces: the case study of prion protein., «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2009, 5, pp. 2565 - 2573 [Scientific article]

Masetti M.; Cavalli A.; Recanatini M.; Gervasio F. L., Exploring complex protein-ligand recognition mechanisms with coarse metadynamics, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2009, 113, pp. 4807 - 4816 [Scientific article]

Cavalli A., Innovative computational approaches to the discovery of novel lead candidates, in: 24 Seminaire en Sciences Pharmaceutiques, ZERMATT, s.n, 2009, pp. - - - (atti di: Frontiers in drug discovery and development, Zermatt, 7-11.09.2009) [Contribution to conference proceedings]

J. Sgrignani; C. Bonaccini; G. Grazioso; M. Chioccioli; A. Cavalli; P. Gratteri, Insights into docking and scoring neuronal alpha4beta2 nicotinic receptor agonists using molecular dynamics simulations and QM/MM calculations., «JOURNAL OF COMPUTATIONAL CHEMISTRY», 2009, 30, pp. 2443 - 2454 [Scientific article]

Bolognesi ML; Cavalli A; Melchiorre C., Memoquin: a multi-target-directed ligand as an innovative therapeutic opportunity for Alzheimer's disease, «NEUROTHERAPEUTICS», 2009, 6, pp. 152 - 162 [Scientific article]

Cavalli A; Bolognesi ML, Neglected tropical diseases: multi-target-directed ligands in the search for novel lead candidates against Trypanosoma and Leishmania, «JOURNAL OF MEDICINAL CHEMISTRY», 2009, 52, pp. 7339 - 7359 [Scientific article]

Patent n. US 7,589,219 B2, Preparation of 2,5-bis-diamine-[1,4]benzoquinone derivatives for the treatment of Alzheimer's disease and a process for their preparation and intermediates thereof..

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