Works by Recanatini, Maurizio

Results: 40

S4-04-04: Memoquin, a novel multifunctional compound for Alzheimer’s disease: An up-date on preclinical studies

Published in:

2006

By:

Capsoni, Simona;
Andrisano, Vincenza;
Bartolini, Manuela;
Bolognesi, Maria Laura;
Cavalli, Andrea;
Margotti, Elisa;
Melchiorre, Carlo;
Recanatini, Maurizio;
Cattaneo, Antonino

Publication type:

Abstract

S4-04-04: Memoquin, a novel multifunctional compound for Alzheimer’s disease: An up-date on preclinical studies

Published in:

2006

By:

Capsoni, Simona;
Andrisano, Vincenza;
Bartolini, Manuela;
Bolognesi, Maria Laura;
Cavalli, Andrea;
Margotti, Elisa;
Melchiorre, Carlo;
Recanatini, Maurizio;
Cattaneo, Antonino

Publication type:

Abstract

Targeting the Protein Tunnels of the Urease Accessory Complex: A Theoretical Investigation.

Published in:

Molecules, 2020, v. 25, n. 12, p. 2911, doi. 10.3390/molecules25122911

By:

Masetti, Matteo;
Falchi, Federico;
Gioia, Dario;
Recanatini, Maurizio;
Ciurli, Stefano;
Musiani, Francesco;
De Rosa, Maria Cristina

Publication type:

Article

Dynamic Docking: A Paradigm Shift in Computational Drug Discovery.

Published in:

Molecules, 2017, v. 22, n. 11, p. 2029, doi. 10.3390/molecules22112029

By:

Gioia, Dario;
Bertazzo, Martina;
Recanatini, Maurizio;
Masetti, Matteo;
Cavalli, Andrea

Publication type:

Article

Computational drug discovery under RNA times.

Published in:

QRB Discovery, 2022, v. 3, p. 1, doi. 10.1017/qrd.2022.20

By:

Bernetti, Mattia;
Aguti, Riccardo;
Bosio, Stefano;
Recanatini, Maurizio;
Masetti, Matteo;
Cavalli, Andrea

Publication type:

Article

Mapping Cholesterol Interaction Sites on Serotonin Transporter through Coarse-Grained Molecular Dynamics.

Published in:

PLoS ONE, 2016, v. 11, n. 12, p. 1, doi. 10.1371/journal.pone.0166196

By:

Ferraro, Mariarosaria;
Masetti, Matteo;
Recanatini, Maurizio;
Cavalli, Andrea;
Bottegoni, Giovanni

Publication type:

Article

Sequential Virtual Screening Approach to the Identification of Small Organic Molecules as Potential BACE-1 Inhibitors.

Published in:

Chemical Biology & Drug Design, 2011, v. 77, n. 4, p. 268, doi. 10.1111/j.1747-0285.2011.01087.x

By:

Chiriano, Gianpaolo;
Sartini, Andrea;
Mancini, Francesca;
Andrisano, Vincenza;
Bolognesi, Maria L.;
Roberti, Marinella;
Recanatini, Maurizio;
Carloni, Paolo;
Cavalli, Andrea

Publication type:

Article

Protein Flexibility in Drug Discovery: From Theory to Computation.

Published in:

ChemMedChem, 2015, v. 10, n. 7, p. 1141, doi. 10.1002/cmdc.201500086

By:

Buonfiglio, Rosa;
Recanatini, Maurizio;
Masetti, Matteo

Publication type:

Article

Galloflavin (CAS 568-80-9): A Novel Inhibitor of Lactate Dehydrogenase.

Published in:

ChemMedChem, 2012, v. 7, n. 2, p. 311, doi. 10.1002/cmdc.201100471

By:

Manerba, Marcella;
Vettraino, Marina;
Fiume, Luigi;
Di Stefano, Giuseppina;
Sartini, Andrea;
Giacomini, Elisa;
Buonfiglio, Rosa;
Roberti, Marinella;
Recanatini, Maurizio

Publication type:

Article

Structure-Activity Relationships and Binding Mode in the Human Acetylcholinesterase Active Site of Pseudo-Irreversible Inhibitors Related to Xanthostigmine.

Published in:

ChemMedChem, 2009, v. 4, n. 4, p. 670, doi. 10.1002/cmdc.200800396

By:

Rizzo, Stefano;
Cavalli, Andrea;
Ceccarini, Luisa;
Bartolini, Manuela;
Belluti, Federica;
Bisi, Alessandra;
Andrisano, Vincenza;
Recanatini, Maurizio;
Rampa, Angela

Publication type:

Article

Modeling hERG and its Interactions with Drugs: Recent Advances in Light of Current Potassium Channel Simulations.

Published in:

ChemMedChem, 2008, v. 3, n. 4, p. 523, doi. 10.1002/cmdc.200700264

By:

Recanatini, Maurizio;
Cavalli, Andrea;
Masetti, Matteo

Publication type:

Article

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.

Published in:

ChemMedChem, 2008, v. 3, n. 2, p. 345, doi. 10.1002/cmdc.200700258

By:

Pizzirani, Daniela;
Roberti, Marinella;
Cavalli, Andrea;
Grimaudo, Stefania;
Di Cristina, Antonietta;
Pipitone, Rosaria Maria;
Gebbia, Nicola;
Tolomeo, Manlio;
Recanatini, Maurizio

Publication type:

Article

Unveiling the Burden of Drug-Induced Impulsivity: A Network Analysis of the FDA Adverse Event Reporting System.

Published in:

Drug Safety, 2024, v. 47, n. 12, p. 1275, doi. 10.1007/s40264-024-01471-z

By:

Fusaroli, Michele;
Polizzi, Stefano;
Menestrina, Luca;
Giunchi, Valentina;
Pellegrini, Luca;
Raschi, Emanuel;
Weintraub, Daniel;
Recanatini, Maurizio;
Castellani, Gastone;
De Ponti, Fabrizio;
Poluzzi, Elisabetta

Publication type:

Article

Synthesis and Quantitative Structure-Activity Relationships of Analeptic Agents Related to Dimefline.

Published in:

Archiv der Pharmazie, 1989, v. 322, n. 5, p. 257, doi. 10.1002/ardp.19893220504

By:

Recanatini, Maurizio;
Valenti, Piero;
Re, Paolo Da;
Giusti, Pietro

Publication type:

Article

Xanthone Analogue of Geiparvarin.

Published in:

Archiv der Pharmazie, 1985, v. 318, n. 10, p. 923, doi. 10.1002/ardp.19853181012

By:

Valenti, Piero;
Recanatini, Maurizio;
Re, Paolo Da;
Galimbeni, Wilma;
Avanzi, Nilla;
Filippeschi, Stefania

Publication type:

Article

Halogenated Dimefline-type Derivatives.

Published in:

Archiv der Pharmazie, 1983, v. 316, n. 5, p. 421, doi. 10.1002/ardp.19833160507

By:

Valenti, Piero;
Recanatini, Maurizio;
Re, Paolo Da;
Cima, Lorenzo;
Giusti, Piero

Publication type:

Article

Some Basic Derivatives of Pummerer's Ketone.

Published in:

Archiv der Pharmazie, 1981, v. 314, n. 9, p. 740, doi. 10.1002/ardp.19813140903

By:

Valenti, Piero;
Recanatini, Maurizio;
Magistretti, Maria;
Da Re, Paolo

Publication type:

Article

Comparative molecular field analysis (CoMFA) of a series of selective adenosine receptor A2A antagonists.

Published in:

Drug Development Research, 1999, v. 46, n. 2, p. 126, doi. 10.1002/(SICI)1098-2299(199902)46:2<126::AID-DDR5>3.0.CO;2-7

By:

Baraldi, Pier Giovanni;
Borea, Pier Andrea;
Bergonzoni, Manuela;
Cacciari, Barbara;
Ongini, Ennio;
Recanatini, Maurizio;
Spalluto, Giampiero

Publication type:

Article

Development of a multisite model for Ni(II) ion in solution from thermodynamic and kinetic data.

Published in:

Journal of Computational Chemistry, 2017, v. 38, n. 21, p. 1834, doi. 10.1002/jcc.24827

By:

Masetti, Matteo;
Musiani, Francesco;
Bernetti, Mattia;
Falchi, Federico;
Cavalli, Andrea;
Ciurli, Stefano;
Recanatini, Maurizio

Publication type:

Article

Predicting Reactivity and Stereoselectivity in the Nazarov Reaction: A Combined Computational and Experimental Study.

Published in:

Chemistry - A European Journal, 2008, v. 14, n. 30, p. 9292, doi. 10.1002/chem.200801030

By:

Cavalli, Andrea;
Pacetti, Alessandro;
Recanatini, Maurizio;
Prandi, Cristina;
Scarpi, Dina;
Occhiato, Ernesto G.

Publication type:

Article

Computational Study of the Phosphoryl Transfer Catalyzed by a Cyclin-Dependent Kinase.

Published in:

Chemistry - A European Journal, 2007, v. 13, n. 30, p. 8437, doi. 10.1002/chem.200700044

By:

De Vivo, Marco;
Cavalli, Andrea;
Carloni, Paolo;
Recanatini, Maurizio

Publication type:

Article

Density Functional Studies on the Nazarov Reaction Involving Cyclic Systems.

Published in:

Chemistry - A European Journal, 2006, v. 12, n. 10, p. 2836, doi. 10.1002/chem.200501391

By:

Andrea Cavalli;
Matteo Masetti;
Maurizio Recanatini;
Cristina Prandi;
Antonio Guarna;
Ernesto G. Occhiato

Publication type:

Article

Computational investigation of the binding mode of bis(hydroxylphenyl)arenes in 17β-HSD1: molecular dynamics simulations, MM-PBSA free energy calculations, and molecular electrostatic potential maps.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 9, p. 795, doi. 10.1007/s10822-011-9464-7

By:

Negri, Matthias;
Recanatini, Maurizio;
Hartmann, Rolf

Publication type:

Article

The Self-Assembly of a Lipophilic Deoxyguanosine Derivative and the Formation of a Liquid-Crystalline Phase in Hydrocarbon Solvents.

Published in:

Helvetica Chimica Acta, 1998, v. 81, n. 11, p. 2078, doi. 10.1002/(SICI)1522-2675(19981111)81:11<2078::AID-HLCA2078>3.0.CO;2-7

By:

Gottarelli, Giovanni;
Masiero, Stefano;
Mezzina, Elisabetta;
Spada, Gian Piero;
Mariani, Paolo;
Recanatini, Maurizio

Publication type:

Article

Network modeling helps to tackle the complexity of drug–disease systems.

Published in:

WIREs: Mechanisms of Disease, 2023, v. 15, n. 4, p. 1, doi. 10.1002/wsbm.1607

By:

Recanatini, Maurizio;
Menestrina, Luca

Publication type:

Article

Protein Dynamics of the HIF-2α PAS-B Domain upon Heterodimerization and Ligand Binding.

Published in:

PLoS ONE, 2014, v. 9, n. 4, p. 1, doi. 10.1371/journal.pone.0094986

By:

Masetti, Matteo;
Falchi, Federico;
Recanatini, Maurizio

Publication type:

Article

A Natural-Like Synthetic Small Molecule Impairs Bcr-Abl Signaling Cascades and Induces Megakaryocyte Differentiation in Erythroleukemia Cells.

Published in:

PLoS ONE, 2013, v. 8, n. 2, p. 1, doi. 10.1371/journal.pone.0057650

By:

Turroni, Silvia;
Tolomeo, Manlio;
Mamone, Gianfranco;
Picariello, Gianluca;
Giacomini, Elisa;
Brigidi, Patrizia;
Roberti, Marinella;
Grimaudo, Stefania;
Pipitone, Rosaria Maria;
Di Cristina, Antonietta;
Recanatini, Maurizio

Publication type:

Article

Ion Conduction through the hERG Potassium Channel.

Published in:

PLoS ONE, 2012, v. 7, n. 11, p. 1, doi. 10.1371/journal.pone.0049017

By:

Ceccarini, Luisa;
Masetti, Matteo;
Cavalli, Andrea;
Recanatini, Maurizio

Publication type:

Article

Substrate Binding Process and Mechanistic Functioning of Type 1 11β-Hydroxysteroid Dehydrogenase from Enhanced Sampling Methods.

Published in:

PLoS ONE, 2011, v. 6, n. 9, p. 1, doi. 10.1371/journal.pone.0025375

By:

Favia, Angelo D.;
Masetti, Matteo;
Recanatini, Maurizio;
Cavalli, Andrea

Publication type:

Article

Insights in 17β-HSD1 Enzyme Kinetics and Ligand Binding by Dynamic Motion Investigation.

Published in:

PLoS ONE, 2010, v. 5, n. 8, p. 1, doi. 10.1371/journal.pone.0012026

By:

Negri, Matthias;
Recanatini, Maurizio;
Hartmann, Rolf W.

Publication type:

Article

A Small Molecule Targeting the Multifactorial Nature of Alzheimer's Disease.

Published in:

Angewandte Chemie International Edition, 2007, v. 46, n. 20, p. 3689, doi. 10.1002/anie.200700256

By:

Cavalli, Andrea;
Bolognesi, Maria Laura;
Capsoni, Simona;
Andrisano, Vincenza;
Bartolini, Manuela;
Margotti, Elisa;
Cattaneo, Antonino;
Recanatini, Maurizio;
Melchiorre, Carlo

Publication type:

Article

Alpha7 nicotinic acetylcholine receptor agonists: Prediction of their binding affinity through a molecular mechanics Poisson–Boltzmann surface area approach.

Published in:

Journal of Computational Chemistry, 2008, v. 29, n. 15, p. 2593, doi. 10.1002/jcc.21019

By:

Grazioso, Giovanni;
Cavalli, Andrea;
De Amici, Marco;
Recanatini, Maurizio;
De Micheli, Carlo

Publication type:

Article

Modeling the hERG potassium channel in a phospholipid bilayer: Molecular dynamics and drug docking studies.

Published in:

Journal of Computational Chemistry, 2008, v. 29, n. 5, p. 795, doi. 10.1002/jcc.20842

By:

Masetti, Matteo;
Cavalli, Andrea;
Recanatini, Maurizio

Publication type:

Article

Mechanistic insights into Pin1 peptidyl-prolyl cis-trans isomerization from umbrella sampling simulations.

Published in:

Proteins, 2014, v. 82, n. 11, p. 2943, doi. 10.1002/prot.24650

By:

Di Martino, Giovanni Paolo;
Masetti, Matteo;
Cavalli, Andrea;
Recanatini, Maurizio

Publication type:

Article

The role of Li+, Na+, and K+ in the ligand binding inside the human acetylcholinesterase gorge.

Published in:

Proteins, 2008, v. 70, n. 3, p. 779, doi. 10.1002/prot.21560

By:

Petraglio, Gabriele;
Bartolini, Manuela;
Branduardi, Davide;
Andrisano, Vincenza;
Recanatini, Maurizio;
Gervasio, Francesco Luigi;
Cavalli, Andrea;
Parrinello, Michele

Publication type:

Article

Three-dimensional model of the human aromatase enzyme and density functional parameterization of the iron-containing protoporphyrin IX for a molecular dynamics study of heme-cysteinato cytochromes.

Published in:

Proteins, 2006, v. 62, n. 4, p. 1074, doi. 10.1002/prot.20829

By:

Favia, Angelo Danilo;
Cavalli, Andrea;
Masetti, Matteo;
Carotti, Angelo;
Recanatini, Maurizio

Publication type:

Article

Role of phosphorylated Thr160 for the activation of the CDK2/Cyclin A complex.

Published in:

Proteins, 2006, v. 62, n. 1, p. 89, doi. 10.1002/prot.20697

By:

De Vivo, Marco;
Cavalli, Andrea;
Bottegoni, Giovanni;
Carloni, Paolo;
Recanatini, Maurizio

Publication type:

Article

Three-dimensional model of the cyclin-dependent kinase 1 (CDK1): Ab initio active site parameters for molecular dynamics studies of CDKS.

Published in:

Proteins, 2001, v. 45, n. 4, p. 478, doi. 10.1002/prot.10013

By:

Cavalli, Andrea;
Dezi, Cristina;
Folkers, Gerd;
Scapozza, Leonardo;
Recanatini, Maurizio

Publication type:

Article

QT prolongation through hERG K+ channel blockade: Current knowledge and strategies for the early prediction during drug development.

Published in:

Medicinal Research Reviews, 2005, v. 25, n. 2, p. 133, doi. 10.1002/med.20019

By:

Recanatini, Maurizio;
Poluzzi, Elisabetta;
Masetti, Matteo;
Cavalli, Andrea;
De Ponti, Fabrizio

Publication type:

Article

Nonsteroidal aromatase inhibitors: Recent advances.

Published in:

Medicinal Research Reviews, 2002, v. 22, n. 3, p. 282, doi. 10.1002/med.10010

By:

Recanatini, Maurizio;
Cavalli, Andrea;
Valenti, Piero

Publication type:

Article