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

Cavalli A; Lizzi F; Bongarzone S; Brun R; Luise Krauth-Siegel R; Bolognesi ML, Privileged structure-guided synthesis of quinazoline derivatives as inhibitors of trypanothione reductase, «BIOORGANIC & MEDICINAL CHEMISTRY LETTERS», 2009, 19, pp. 3031 - 3035 [Scientific article]

Berteotti A.; Cavalli A.; Branduardi D.; Gervasio F. L.; Recanatini M.; Parrinello M., Protein conformational transitions: the closure mechanism of a kinase explored by atomistic simulations, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2009, 131, pp. 244 - 250 [Scientific article]

S. Rizzo; A. Cavalli; L. Ceccarini; M. Bartolini; F. Belluti; A. Bisi; V. Andrisano; M. Recanatini; A. Rampa, Structure-Activity Relationships and Binding Mode in the Human Acetylcholinesterase Active Site of Pseudo-Irreversible Inhibitors Related to Xanthostigmine, «CHEMMEDCHEM», 2009, 4, pp. 670 - 679 [Scientific article]

Bolognesi ML; Cavalli A; Bergamini C; Fato R; Lenaz G; Rosini M; Bartolini M; Andrisano V; Melchiorre C., Toward a rational design of multitarget-directed antioxidants: merging memoquin and lipoic acid molecular frameworks, «JOURNAL OF MEDICINAL CHEMISTRY», 2009, 52, pp. 7883 - 7886 [Scientific article]

Grazioso G.; Cavalli A.; De Amici M.; Recanatini M.; De Micheli C., Alpha7 nicotinic acetylcholine receptor agonists: prediction of their binding affinity through a molecular mechanics Poisson-Boltzmann surface area approach, «JOURNAL OF COMPUTATIONAL CHEMISTRY», 2008, 29, pp. 2593 - 2602 [Scientific article]

Pizzirani D.; Roberti M.; Cavalli A.; Grimaudo S.; Di Cristina A.; Pipitone R.M.; Gebbia N.; Tolomeo M.; Recanatini M., Antiproliferative agents that interfere with the cell cycle at the G(1)-->S transition: further development and characterization of a small library of stilbene-derived compounds, «CHEMMEDCHEM», 2008, 3, pp. 345 - 355 [Scientific article]

A. Cavalli; M. Masetti; M. Recanatini; F.L. Gervasio, Applications of metadynamics to protein-ligand docking, in: Book of Abstracts, VERONA, S.C.I., 2008, pp. 48 - 48 (atti di: XIX National Meeting on Medicinal Chemistry, Verona, 14-18 Settembre 2008) [Contribution to conference proceedings]

M. L. Bolognesi; A. Cavalli, Design and synthesis of new classes of derivatives bearing antitrypanosomal and antileishmanial activity, in: XIII Meeting Strutture Eterocicliche nella Ricerca Farmaceutica, Atti, S. L., s. n., 2008, pp. 170 - 180 (atti di: XIII Meeting Strutture Eterocicliche nella Ricerca Farmaceutica, Palermo, 18-21 maggio 2008) [Contribution to conference proceedings]

A. Kranjc; S. Bongarzone; G. Chiriano; G. Rossetti; X. Biarnés; A. Cavalli; M.L. Bolognesi; M. Roberti; G. Legname; P. Carloni, DESIGN OF LIGANDS WITH A HIGH AFFINITY TO PrPC, in: International Workshop HUMAN and ANIMAL TSE, Programme Abstracts, S. L., s. n., 2008, pp. 34 - 34 (atti di: International Workshop HUMAN and ANIMAL TSE, Grado, Italy, 26-28 Giugno 2008) [Abstract]

Gobbi S.; Cavalli A.; Bisi A.; Recanatini M., From nonsteroidal aromatase inhibitors to multifunctional drug candidates: classic and innovative strategies for the treatment of breast cancer., «CURRENT TOPICS IN MEDICINAL CHEMISTRY», 2008, 8, pp. 869 - 887 [Scientific article]

S. Gobbi; A. Bisi; A. Cavalli; F. Belluti; L. Piazzi; A. Rampa; K. Schede; R. W. Hartmann, Imidazolylmethylxanthones as potent inhibitors of cytochrome P450 aromatase, in: XIII Meeting Strutture eterocicliche nella ricerca farmaceutica, s.l, s.n, 2008, pp. 206 - 206 (atti di: XIII Meeting Strutture eterocicliche nella ricerca farmaceutica, Palermo, 18-21 Maggio 2008) [Abstract]

M. Rosini; E. Simoni; M. Bartolini; A. Cavalli; L. Ceccarini; N. Pascu; D. W. McClymont; A. Tarozzi; M. L. Bolognesi; A. Minarini; V. Tumiatti; V. Andrisano; I. R. Mellor; C. Melchiorre, Inhibition of Acetylcholinesterase, Beta-Amyloid Aggregation, and NMDA Receptors in Alzheimer's Disease: A Promising Direction for the Multi-target-Directed Ligands Gold Rush, «JOURNAL OF MEDICINAL CHEMISTRY», 2008, 51, pp. 4381 - 4384 [Scientific article]

Colizzi F.; Recanatini M.; Cavalli A., Mechanical features of Plasmodium falciparum acyl carrier protein in the delivery of substrates, «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2008, 48, pp. 2289 - 2293 [Scientific article]

Recanatini M.; Cavalli A.; Masetti M., Modeling hERG and its interactions with drugs: recent advances in light of current potassium channel simulations, «CHEMMEDCHEM», 2008, 3(4), pp. 523 - 535 [Scientific article]

Masetti M.; Cavalli A.; Recanatini M., Modeling the hERG potassium channel in a phospholipid bilayer: Molecular dynamics and drug docking studies, «JOURNAL OF COMPUTATIONAL CHEMISTRY», 2008, 29, pp. 795 - 808 [Scientific article]

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