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Andrea Cavalli

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Giovanni Paolo Di Martino; Matteo Masetti; Andrea Cavalli; Luisa Ceccarini; Maurizio Recanatini
An automated docking protocol for hERG channel blockers.
Simone Pieretti; Federica Prati; Leonardo Scapozza; Barbara M Bakker; Christian Bergamini; Maria Laura Bolognesi; Reto Brun; Giovanni Capranico; Romana Fato; Jurgen Haanstra; Giorgio Lenaz; Muriel Mazet; Paul A M Michels; Remo Perozzo; Andrea Cavalli
Naphthoquinone derivatives exert their antitrypanosomal activity via a multi-target mechanism.
Angelo D Favia; Damien Habrant; Marco Migliore; Daniele Piomelli; Rita Scarpelli; Glauco Tarozzo; Clara Albani; Sine Mandrup Bertozzi; Andrea Cavalli; Mauro Dionisi; Marco De Vivo
Identification and characterization of carprofen as a multitarget fatty acid amide hydrolase/cyclooxygenase inhibitor.

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All Publications

2013: Giovanni Paolo Di Martino; Matteo Masetti; Andrea Cavalli; Luisa Ceccarini; Maurizio Recanatini
An automated docking protocol for hERG channel blockers.
Journal of chemical information and modeling 2013;53(1):159-75.
2013: Simone Pieretti; Federica Prati; Leonardo Scapozza; Barbara M Bakker; Christian Bergamini; Maria Laura Bolognesi; Reto Brun; Giovanni Capranico; Romana Fato; Jurgen Haanstra; Giorgio Lenaz; Muriel Mazet; Paul A M Michels; Remo Perozzo; Andrea Cavalli
Naphthoquinone derivatives exert their antitrypanosomal activity via a multi-target mechanism.
PLoS neglected tropical diseases 2013;7(1):e2012.
2012: Angelo D Favia; Damien Habrant; Marco Migliore; Daniele Piomelli; Rita Scarpelli; Glauco Tarozzo; Clara Albani; Sine Mandrup Bertozzi; Andrea Cavalli; Mauro Dionisi; Marco De Vivo
Identification and characterization of carprofen as a multitarget fatty acid amide hydrolase/cyclooxygenase inhibitor.
Journal of medicinal chemistry 2012;55(20):8807-26.
2012: Paola Corona; Antonio Carta; Andrea Cavalli; Stefania Ferrari; Federica Gibellini; Davide Guerrieri; Shreedhara Gupta; Véronique Hannaert; Mario Loriga; Rosaria Luciani; Paul A M Michels; Erika Nerini; Giuseppe Paglietti; Puneet Saxena; Paola M Costi
Structure-based selectivity optimization of piperidine-pteridine derivatives as potent Leishmania pteridine reductase inhibitors.
Journal of medicinal chemistry 2012;55(19):8318-29.
2012: Sai Vikrama Chaitanya Vummaleti; Davide Branduardi; Marco De Vivo; Matteo Masetti; Roberto Motterlini; Andrea Cavalli
Theoretical insights into the mechanism of carbon monoxide (CO) release from CO-releasing molecules.
Chemistry (Weinheim an der Bergstrasse, Germany) 2012;18(30):9267-75.
2012: Puneet Kacker; Martina Mangold; Matteo Masetti; Giovanni Bottegoni; Andrea Cavalli
Combining dyad protonation and active site plasticity in BACE-1 structure-based drug design.
Journal of chemical information and modeling 2012;52(5):1079-85.
2012: Andrea Cavalli; Rachel Caves; Luisa Ceccarini; Michael W Y Chang; Cristina Ianni; Matteo Masetti; John S Mitcheson; Rosa Buonfiglio; Marinella Roberti; Maurizio Recanatini
Computational design and discovery of "minimally structured" hERG blockers.
Journal of medicinal chemistry 2012;55(8):4010-4.
2012: Luisa Ceccarini; Matteo Masetti; Andrea Cavalli; Maurizio Recanatini
Ion conduction through the hERG potassium channel.
PloS one 2012;7(11):e49017.
2012: Alessio Lodola; Marco Mor; Daniele Piomelli; Davide Branduardi; Luigi Capoferri; Marco De Vivo; Andrea Cavalli
A catalytic mechanism for cysteine N-terminal nucleophile hydrolases, as revealed by free energy simulations.
PloS one 2012;7(2):e32397.
2011: Angelo D Favia; Irene Nobeli; Paola Bisignano; Giovanni Bottegoni; Andrea Cavalli
SERAPhiC: a benchmark for in silico fragment-based drug design.
Journal of chemical information and modeling 2011;51(11):2882-96.
2011: Giulia Palermo; Daniele Piomelli; Davide Branduardi; Andrea Cavalli; Alessio Lodola; Matteo Masetti; Marco Mor; Marco De Vivo
Covalent inhibitors of fatty acid amide hydrolase: a rationale for the activity of piperidine and piperazine aryl ureas.
Journal of medicinal chemistry 2011;54(19):6612-23.
2011: Marco De Vivo; Francesco Luigi Gervasio; Maurizio Recanatini; Anna Berteotti; Giovanni Bottegoni; Andrea Cavalli
Cyclin-dependent kinases: bridging their structure and function through computations.
Future medicinal chemistry 2011;3(12):1551-9.
2011: Federica Belluti; Manuela Bartolini; Giovanni Bottegoni; Alessandra Bisi; Andrea Cavalli; Vincenza Andrisano; Angela 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(5):1682-93.
2011: Giovanni Bottegoni; Walter Rocchia; Manuel Rueda; Ruben Abagyan; Andrea Cavalli
Systematic exploitation of multiple receptor conformations for virtual ligand screening.
PloS one 2011;6(5):e18845.
2010: Elena Simoni; Christian Bergamini; Romana Fato; Andrea Tarozzi; Sandip Bains; Roberto Motterlini; Andrea Cavalli; Maria Laura Bolognesi; Anna Minarini; Patrizia Hrelia; Giorgio Lenaz; Michela Rosini; Carlo Melchiorre
Polyamine conjugation of curcumin analogues toward the discovery of mitochondria-directed neuroprotective agents.
Journal of medicinal chemistry 2010;53(19):7264-8.
2010: Francesco Colizzi; Remo Perozzo; Leonardo Scapozza; Maurizio Recanatini; Andrea Cavalli
Single-molecule pulling simulations can discern active from inactive enzyme inhibitors.
Journal of the American Chemical Society 2010;132(21):7361-71.
2010: Stefano Rizzo; Manuela Bartolini; Luisa Ceccarini; Lorna Piazzi; Silvia Gobbi; Andrea Cavalli; Maurizio Recanatini; Vincenza Andrisano; Angela Rampa
Targeting Alzheimer's disease: Novel indanone hybrids bearing a pharmacophoric fragment of AP2238.
Bioorganic & medicinal chemistry 2010;18(5):1749-60.
2010: Andrea Cavalli; Federica Lizzi; Salvatore Bongarzone; Federica Belluti; Lorna Piazzi; Maria Laura Bolognesi
Complementary medicinal chemistry-driven strategies toward new antitrypanosomal and antileishmanial lead drug candidates.
FEMS immunology and medical microbiology 2010;58(1):51-60.
2009: Maria Laura Bolognesi; Andrea Cavalli; Christian Bergamini; Romana Fato; Giorgio Lenaz; Michela Rosini; Manuela Bartolini; Vincenza Andrisano; Carlo Melchiorre
Toward a rational design of multitarget-directed antioxidants: merging memoquin and lipoic acid molecular frameworks.
Journal of medicinal chemistry 2009;52(23):7883-6.
2009: Andrea Cavalli; Maria Laura Bolognesi
Neglected tropical diseases: multi-target-directed ligands in the search for novel lead candidates against Trypanosoma and Leishmania.
Journal of medicinal chemistry 2009;52(23):7339-59.
2009: Andrea Cavalli; Federica Lizzi; Salvatore Bongarzone; Reto Brun; R Luise Krauth-Siegel; Maria Laura Bolognesi
Privileged structure-guided synthesis of quinazoline derivatives as inhibitors of trypanothione reductase.
Bioorganic & medicinal chemistry letters 2009;19(11):3031-5.
2009: Stefano Rizzo; Andrea Cavalli; Luisa Ceccarini; Manuela Bartolini; Federica Belluti; Alessandra Bisi; Vincenza Andrisano; Maurizio Recanatini; Angela Rampa
Structure-activity relationships and binding mode in the human acetylcholinesterase active site of pseudo-irreversible inhibitors related to xanthostigmine.
ChemMedChem 2009;4(4):670-9.
2009: Federica Belluti; Lorna Piazzi; Alessandra Bisi; Silvia Gobbi; Manuela Bartolini; Andrea Cavalli; Piero Valenti; Angela Rampa
Design, synthesis, and evaluation of benzophenone derivatives as novel acetylcholinesterase inhibitors.
European journal of medicinal chemistry 2009;44(3):1341-8.
2009: Maria Laura Bolognesi; Andrea Cavalli; Carlo Melchiorre
Memoquin: a multi-target-directed ligand as an innovative therapeutic opportunity for Alzheimer's disease.
Neurotherapeutics : the journal of the American Society for Experimental NeuroTherapeutics 2009;6(1):152-62.
2008: Vincenzo Tumiatti; Andrea Milelli; Anna Minarini; Michela Rosini; Maria Laura Bolognesi; Marialuisa Micco; Vincenza Andrisano; Manuela Bartolini; Francesca Mancini; Maurizio Recanatini; Andrea Cavalli; Carlo Melchiorre
Structure-activity relationships of acetylcholinesterase noncovalent inhibitors based on a polyamine backbone. 4. Further investigation on the inner spacer.
Journal of medicinal chemistry 2008;51(22):7308-12.
2008: Michela Rosini; Elena Simoni; Manuela Bartolini; Andrea Cavalli; Luisa Ceccarini; Nicoleta Pascu; David W McClymont; Andrea Tarozzi; Maria L Bolognesi; Anna Minarini; Vincenzo Tumiatti; Vincenza Andrisano; Ian R Mellor; Carlo 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(15):4381-4.
2008: Matteo Masetti; Andrea Cavalli; Maurizio Recanatini
Modeling the hERG potassium channel in a phospholipid bilayer: Molecular dynamics and drug docking studies.
Journal of computational chemistry 2008;29(5):795-808.
2008: Maria Laura Bolognesi; Federica Lizzi; Remo Perozzo; Reto Brun; Andrea Cavalli
Synthesis of a small library of 2-phenoxy-1,4-naphthoquinone and 2-phenoxy-1,4-anthraquinone derivatives bearing anti-trypanosomal and anti-leishmanial activity.
Bioorganic & medicinal chemistry letters 2008;18(7):2272-6.
2008: Maurizio Recanatini; Andrea Cavalli; Matteo Masetti
Modeling HERG and its interactions with drugs: recent advances in light of current potassium channel simulations.
ChemMedChem 2008;3(4):523-35.
2008: Daniela Pizzirani; Marinella Roberti; Andrea Cavalli; Stefania Grimaudo; Antonietta Di Cristina; Rosaria Maria Pipitone; Nicola Gebbia; Manlio Tolomeo; Maurizio Recanatini
Antiproliferative agents that interfere with the cell cycle at the G1-->S transition: further development and characterization of a small library of stilbene-derived compounds.
ChemMedChem 2008;3(2):345-55.
2008: Andrea Cavalli; Alessandro Pacetti; Maurizio Recanatini; Cristina Prandi; Dina Scarpi; Ernesto G Occhiato
Predicting reactivity and stereoselectivity in the Nazarov reaction: a combined computational and experimental study.
Chemistry (Weinheim an der Bergstrasse, Germany) 2008;14(30):9292-304.
2008: Silvia Gobbi; Andrea Cavalli; Alessandra Bisi; Maurizio Recanatini
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(10):869-87.
2008: Lorna Piazzi; Andrea Cavalli; Francesco Colizzi; Federica Belluti; Manuela Bartolini; Francesca Mancini; Maurizio Recanatini; Vincenza Andrisano; Angela Rampa
Multi-target-directed coumarin derivatives: hAChE and BACE1 inhibitors as potential anti-Alzheimer compounds.
Bioorganic & medicinal chemistry letters 2008;18(1):423-6.
2007: Manuela Bartolini; Carlo Bertucci; Maria Laura Bolognesi; Andrea Cavalli; Carlo Melchiorre; Vincenza Andrisano
Insight into the kinetic of amyloid beta (1-42) peptide self-aggregation: elucidation of inhibitors' mechanism of action.
Chembiochem : a European journal of chemical biology 2007;8(17):2152-61.
2007: Francesca Mancini; Maria Laura Bolognesi; Carlo Melchiorre; Andrea Cavalli; Vincenza Andrisano
Monolithic stationary phase coupled with coulometric detection: development of an ion-pair HPLC method for the analysis of quinone-bearing compounds.
Journal of separation science 2007;30(17):2935-42.
2007: Maria Laura Bolognesi; Rita Banzi; Manuela Bartolini; Andrea Cavalli; Andrea Tarozzi; Vincenza Andrisano; Anna Minarini; Michela Rosini; Vincenzo Tumiatti; Christian Bergamini; Romana Fato; Giorgio Lenaz; Patrizia Hrelia; Antonino Cattaneo; Maurizio Recanatini; Carlo Melchiorre
Novel class of quinone-bearing polyamines as multi-target-directed ligands to combat Alzheimer's disease.
Journal of medicinal chemistry 2007;50(20):4882-97.
2007: Lorna Piazzi; Andrea Cavalli; Federica Belluti; Alessandra Bisi; Silvia Gobbi; Stefano Rizzo; Manuela Bartolini; Vincenza Andrisano; Maurizio Recanatini; Angela Rampa
Extensive SAR and computational studies of 3-{4-[(benzylmethylamino)methyl]phenyl}-6,7-dimethoxy-2H-2-chromenone (AP2238) derivatives.
Journal of medicinal chemistry 2007;50(17):4250-4.
2007: Silvia Gobbi; Andrea Cavalli; Matthias Negri; Katarzyna E Schewe; Federica Belluti; Lorna Piazzi; Rolf W Hartmann; Maurizio Recanatini; Alessandra Bisi
Imidazolylmethylbenzophenones as highly potent aromatase inhibitors.
Journal of medicinal chemistry 2007;50(15):3420-2.
2007: Riccardo Amorati; Andrea Cavalli; Maria Grazia Fumo; Matteo Masetti; Stefano Menichetti; Chiara Pagliuca; Gian Franco Pedulli; Caterina Viglianisi
Kinetic and thermochemical study of the antioxidant activity of sulfur-containing analogues of vitamin E.
Chemistry (Weinheim an der Bergstrasse, Germany) 2007;13(29):8223-30.
2007: Marco De Vivo; Andrea Cavalli; Paolo Carloni; Maurizio Recanatini
Computational study of the phosphoryl transfer catalyzed by a cyclin-dependent kinase.
Chemistry (Weinheim an der Bergstrasse, Germany) 2007;13(30):8437-44.
2007: Andrea Cavalli; Maria Laura Bolognesi; Simona Capsoni; Vincenza Andrisano; Manuela Bartolini; Elisa Margotti; Antonino Cattaneo; Maurizio Recanatini; Carlo Melchiorre
A small molecule targeting the multifactorial nature of Alzheimer's disease.
Angewandte Chemie (International ed. in English) 2007;46(20):3689-92.
2006: Alessandra Antonello; Andrea Tarozzi; Fabiana Morroni; Andrea Cavalli; Michela Rosini; Patrizia Hrelia; Maria Laura Bolognesi; Carlo Melchiorre
Multitarget-directed drug design strategy: a novel molecule designed to block epidermal growth factor receptor (EGFR) and to exert proapoptotic effects.
Journal of medicinal chemistry 2006;49(23):6642-5.
2006: Andrea Cavalli; Paolo Carloni; Maurizio Recanatini
Target-related applications of first principles quantum chemical methods in drug design.
Chemical reviews 2006;106(9):3497-519.
2006: Silvia Gobbi; Andrea Cavalli; Angela Rampa; Federica Belluti; Lorna Piazzi; Anja Paluszcak; Rolf W Hartmann; Maurizio Recanatini; Alessandra Bisi
Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme.
Journal of medicinal chemistry 2006;49(15):4777-80.
2006: Giuseppe Bartoli; Marcella Bosco; Armando Carlone; Andrea Cavalli; Manuela Locatelli; Andrea Mazzanti; Paolo Ricci; Letizia Sambri; Paolo Melchiorre
Organocatalytic asymmetric conjugate addition of 1,3-dicarbonyl compounds to maleimides.
Angewandte Chemie (International ed. in English) 2006;45(30):4966-70.
2006: Giovanni Bottegoni; Walter Rocchia; Maurizio Recanatini; Andrea Cavalli
AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets.
Bioinformatics (Oxford, England) 2006;22(14):e58-65.
2006: Andrea Cavalli; Matteo Masetti; Maurizio Recanatini; Cristina Prandi; Antonio Guarna; Ernesto G Occhiato
Density functional studies on the Nazarov reaction involving cyclic systems.
Chemistry (Weinheim an der Bergstrasse, Germany) 2006;12(10):2836-45.
2006: Giovanni Bottegoni; Andrea Cavalli; Maurizio Recanatini
A comparative study on the application of hierarchical-agglomerative clustering approaches to organize outputs of reiterated docking runs.
Journal of chemical information and modeling 2006;46(2):852-62.
2006: Marco De Vivo; Andrea Cavalli; Giovanni Bottegoni; Paolo Carloni; Maurizio Recanatini
Role of phosphorylated Thr160 for the activation of the CDK2/Cyclin A complex.
Proteins 2006;62(1):89-98.
2005: Maurizio Recanatini; Andrea Cavalli; Giovanni Bottegoni
Computational approaches to the study of dual-site and peripheral site binding ache inhibitors.
Chemico-biological interactions 2005;157-158():414-5.
2005: Andrea Cavalli; Alessandra Bisi; Carlo Bertucci; Carlo Rosini; Anja Paluszcak; Silvia Gobbi; Egidio Giorgio; Angela Rampa; Federica Belluti; Lorna Piazzi; Piero Valenti; Rolf W Hartmann; Maurizio Recanatini
Enantioselective nonsteroidal aromatase inhibitors identified through a multidisciplinary medicinal chemistry approach.
Journal of medicinal chemistry 2005;48(23):7282-9.
2005: Federica Belluti; Angela Rampa; Lorna Piazzi; Alessandra Bisi; Silvia Gobbi; Manuela Bartolini; Vincenza Andrisano; Andrea Cavalli; Maurizio Recanatini; Piero Valenti
Cholinesterase inhibitors: xanthostigmine derivatives blocking the acetylcholinesterase-induced beta-amyloid aggregation.
Journal of medicinal chemistry 2005;48(13):4444-56.
2005: Maurizio Recanatini; Elisabetta Poluzzi; Matteo Masetti; Andrea Cavalli; Fabrizio De Ponti
QT prolongation through hERG K(+) channel blockade: current knowledge and strategies for the early prediction during drug development.
Medicinal research reviews 2005;25(2):133-66.
2005: Maurizio Recanatini; Andrea Cavalli; Matteo Masetti
In silico modelling--pharmacophores and hERG channel models.
Novartis Foundation symposium 2005;266():171-81; discussion 181-5.
2004: Maria Laura Bolognesi; Manuela Bartolini; Andrea Cavalli; Vincenza Andrisano; Michela Rosini; Anna Minarini; Carlo Melchiorre
Design, synthesis, and biological evaluation of conformationally restricted rivastigmine analogues.
Journal of medicinal chemistry 2004;47(24):5945-52.
2004: Andrea Cavalli; Giovanni Bottegoni; Caterina Raco; Marco De Vivo; Maurizio Recanatini
A computational study of the binding of propidium to the peripheral anionic site of human acetylcholinesterase.
Journal of medicinal chemistry 2004;47(16):3991-9.
2004: Ernesto G Occhiato; Alessandro Ferrali; Gloria Menchi; Antonio Guarna; Giovanna Danza; Alessandra Comerci; Rosa Mancina; Mario Serio; Gianni Garotta; Andrea Cavalli; Marco De Vivo; Maurizio Recanatini
Synthesis, biological activity, and three-dimensional quantitative structure-activity relationship model for a series of benzo[c]quinolizin-3-ones, nonsteroidal inhibitors of human steroid 5alpha-reductase 1.
Journal of medicinal chemistry 2004;47(14):3546-60.
2004: Andrea Cavalli; Andrea E Prota; Thilo Stehle; Terence S Dermody; Maurizio Recanatini; Gerd Folkers; Leonardo Scapozza
A molecular dynamics study of reovirus attachment protein sigma1 reveals conformational changes in sigma1 structure.
Biophysical journal 2004;86(6):3423-31.
2003: Michela Rosini; Alessandra Antonello; Andrea Cavalli; Maria Laura Bolognesi; Anna Minarini; Gabriella Marucci; Elena Poggesi; Amedeo Leonardi; Carlo Melchiorre
Prazosin-related compounds. Effect of transforming the piperazinylquinazoline moiety into an aminomethyltetrahydroacridine system on the affinity for alpha1-adrenoreceptors.
Journal of medicinal chemistry 2003;46(23):4895-903.
2003: Maria Laura Bolognesi; Andrea Cavalli; Vincenza Andrisano; Manuela Bartolini; Rita Banzi; Alessandra Antonello; Michela Rosini; Carlo Melchiorre
Design, synthesis and biological evaluation of ambenonium derivatives as AChE inhibitors.
Farmaco (Società chimica italiana : 1989) 2003;58(9):917-28.
2003: Lucilla Varoli; Piero Angeli; Michela Buccioni; Silvia Burnelli; Andrea Cavalli; Gabriella Marucci; Maurizio Recanatini
Synthesis and antagonistic activity at muscarinic receptor subtypes of some derivatives of diphenidol.
Farmaco (Società chimica italiana : 1989) 2003;58(9):651-7.
2003: Andrea Cavalli; Marco De Vivo; Maurizio Recanatini
Density functional study of the enzymatic reaction catalyzed by a cyclin-dependent kinase.
Chemical communications (Cambridge, England) 2003;(11):1308-9.
2003: Lorna Piazzi; Angela Rampa; Alessandra Bisi; Silvia Gobbi; Federica Belluti; Andrea Cavalli; Manuela Bartolini; Vincenza Andrisano; Piero Valenti; Maurizio Recanatini
3-(4-[[Benzyl(methyl)amino]methyl]phenyl)-6,7-dimethoxy-2H-2-chromenone (AP2238) inhibits both acetylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation: a dual function lead for Alzheimer's disease therapy.
Journal of medicinal chemistry 2003;46(12):2279-82.
2003: Vincenzo Tumiatti; Michela Rosini; Manuela Bartolini; Andrea Cavalli; Gabriella Marucci; Vincenza Andrisano; Piero Angeli; Rita Banzi; Anna Minarini; Maurizio Recanatini; Carlo Melchiorre
Structure-activity relationships of acetylcholinesterase noncovalent inhibitors based on a polyamine backbone. 2. Role of the substituents on the phenyl ring and nitrogen atoms of caproctamine.
Journal of medicinal chemistry 2003;46(6):954-66.
2002: Andrea Cavalli; Elisabetta Poluzzi; Fabrizio De Ponti; Maurizio Recanatini
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockers.
Journal of medicinal chemistry 2002;45(18):3844-53.
2002: Manuela Bartolini; Carlo Bertucci; Roberto Gotti; Vincenzo Tumiatti; Andrea Cavalli; Maurizio Recanatini; Vincenza Andrisano
Determination of the dissociation constants (pKa) of basic acetylcholinesterase inhibitors by reversed-phase liquid chromatography.
Journal of chromatography. A 2002;958(1-2):59-67.
2002: Maurizio Recanatini; Andrea Cavalli; Piero Valenti
Nonsteroidal aromatase inhibitors: recent advances.
Medicinal research reviews 2002;22(3):282-304.
2002: Vincenza Andrisano; Roberto Gotti; Maurizio Recanatini; Andrea Cavalli; Lucilla Varoli; Carlo Bertucci
Stereoselective binding of 2-(4-biphenylyl)-3-substituted-3-hydroxypropionic acids on an immobilised human serum albumin chiral stationary phase.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 2002;768(1):137-45.
2002: Fabrizio De Ponti; Elisabetta Poluzzi; Andrea Cavalli; Maurizio Recanatini; Nicola Montanaro
Safety of non-antiarrhythmic drugs that prolong the QT interval or induce torsade de pointes: an overview.
Drug safety : an international journal of medical toxicology and drug experience 2002;25(4):263-86.
2001: Andrea Cavalli; C Dezi; Gerd Folkers; Leonardo Scapozza; Maurizio Recanatini
Three-dimensional model of the cyclin-dependent kinase 1 (CDK1): Ab initio active site parameters for molecular dynamics studies of CDKS.
Proteins 2001;45(4):478-85.
2001: Aldo Andreani; Andrea Cavalli; Massimiliano Granaiola; Massimo Guardigli; Alberto Leoni; Alessandra Locatelli; Rita Morigi; Mirella Rambaldi; Maurizio Recanatini; Aldo Roda
Synthesis and screening for antiacetylcholinesterase activity of (1-benzyl-4-oxopiperidin-3-ylidene)methylindoles and -pyrroles related to donepezil.
Journal of medicinal chemistry 2001;44(23):4011-4.
2001: Angela Rampa; Lorna Piazzi; Federica Belluti; Silvia Gobbi; Alessandra Bisi; Manuela Bartolini; Vincenza Andrisano; Vanni Cavrini; Andrea Cavalli; Maurizio Recanatini; Piero Valenti
Acetylcholinesterase inhibitors: SAR and kinetic studies on omega-[N-methyl-N-(3-alkylcarbamoyloxyphenyl)methyl]aminoalkoxyaryl derivatives.
Journal of medicinal chemistry 2001;44(23):3810-20.
2001: Maurizio Recanatini; Alessandra Bisi; Andrea Cavalli; Federica Belluti; Silvia Gobbi; Angela Rampa; Piero Valenti; Martina Palzer; Anja Palusczak; Rolf W Hartmann
A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase.
Journal of medicinal chemistry 2001;44(5):672-80.
2000: Aldo Andreani; Andrea Cavalli; Massimiliano Granaiola; Alberto Leoni; Alessandra Locatelli; Rita Morigi; Mirella Rambaldi; Maurizio Recanatini; M Garnier; L Meijer
Imidazo[2,1 -b]thiazolylmethylene- and indolylmethylene-2-indolinones: a new class of cyclin-dependent kinase inhibitors. Design, synthesis, and CDK1/cyclin B inhibition.
Anti-cancer drug design 2000;15(6):447-52.
2000: Andrea Cavalli; G Greco; Ettore Novellino; Maurizio Recanatini
Linking CoMFA and protein homology models of enzyme-inhibitor interactions: an application to non-steroidal aromatase inhibitors.
Bioorganic & medicinal chemistry 2000;8(12):2771-80.
2000: Maurizio Recanatini; Andrea Cavalli; Federica Belluti; Lorna Piazzi; Angela Rampa; Alessandra Bisi; Silvia Gobbi; Piero Valenti; Vincenza Andrisano; Manuela Bartolini; Vanni Cavrini
SAR of 9-amino-1,2,3,4-tetrahydroacridine-based acetylcholinesterase inhibitors: synthesis, enzyme inhibitory activity, QSAR, and structure-based CoMFA of tacrine analogues.
Journal of medicinal chemistry 2000;43(10):2007-18.
2000: Vincenza Andrisano; Carlo Bertucci; Vanni Cavrini; Maurizio Recanatini; Andrea Cavalli; Lucilla Varoli; G Felix; irving william wainer
Stereoselective binding of 2,3-substituted 3-hydroxypropionic acids on an immobilised human serum albumin chiral stationary phase: stereochemical characterisation and quantitative structure-retention relationship study.
Journal of chromatography. A 2000;876(1-2):75-86.
2000: Vincenzo Tumiatti; Piero Angeli; Vincenza Andrisano; Maria Laura Bolognesi; Andrea Cavalli; Gabriella Marucci; Anna Minarini; Maurizio Recanatini; Michela Rosini; Carlo Melchiorre
[4-[[N-(3-chlorophenyl)carbamoyl]oxy]-2-butynyl]-trimethylammonium (McN-A-343)-related compounds. Effect of the butynyl chain inclusion into an aromatic unit on the potency for muscarinic receptors.
Bioorganic & medicinal chemistry 2000;8(4):681-9.
2000: Angela Rampa; Alessandra Bisi; Federica Belluti; Silvia Gobbi; Piero Valenti; Vincenza Andrisano; Vanni Cavrini; Andrea Cavalli; Maurizio Recanatini
Acetylcholinesterase inhibitors for potential use in Alzheimer's disease: molecular modeling, synthesis and kinetic evaluation of 11H-indeno-[1,2-b]-quinolin-10-ylamine derivatives.
Bioorganic & medicinal chemistry 2000;8(3):497-506.
1999: Maria Laura Bolognesi; Roberta Budriesi; Andrea Cavalli; Alberto Chiarini; Roberto Gotti; Amedeo Leonardi; Anna Minarini; Elena Poggesi; Maurizio Recanatini; Michela Rosini; Vincenzo Tumiatti; Carlo Melchiorre
WB 4101-related compounds. 2. Role of the ethylene chain separating amine and phenoxy units on the affinity for alpha(1)-adrenoreceptor subtypes and 5-HT(1A) receptors.
Journal of medicinal chemistry 1999;42(20):4214-24.
1998: Carlo Melchiorre; Vincenza Andrisano; Maria Laura Bolognesi; Roberta Budriesi; Andrea Cavalli; Vanni Cavrini; Michela Rosini; Vincenzo Tumiatti; Maurizio Recanatini
Acetylcholinesterase noncovalent inhibitors based on a polyamine backbone for potential use against Alzheimer's disease.
Journal of medicinal chemistry 1998;41(22):4186-9.
1998: Angela Rampa; Alessandra Bisi; Piero Valenti; Maurizio Recanatini; Andrea Cavalli; Vincenza Andrisano; Vanni Cavrini; L Fin; A Buriani; P Giusti
Acetylcholinesterase inhibitors: synthesis and structure-activity relationships of omega-[N-methyl-N-(3-alkylcarbamoyloxyphenyl)- methyl]aminoalkoxyheteroaryl derivatives.
Journal of medicinal chemistry 1998;41(21):3976-86.
1998: Maurizio Recanatini; Andrea Cavalli
Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes.
Bioorganic & medicinal chemistry 1998;6(4):377-88.
1997: Maurizio Recanatini; Andrea Cavalli; C Hansch
A comparative QSAR analysis of acetylcholinesterase inhibitors currently studied for the treatment of Alzheimer's disease.
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