G. Grazioso

发表

The response of Escherichia coli biofilm to salicylic acid

F. Villa, F. Cappitelli, A. Vitali, 2017, Biofouling.

Modification of the anabaseine pyridine nucleus allows achieving binding and functional selectivity for the α3β4 nicotinic acetylcholine receptor subtype.

M. Sciaccaluga, C. Gotti, M. Quadri, 2016, European journal of medicinal chemistry.

Determination of Acid Dissociation Constants of Poorly Water-Soluble Nicotinic Ligands by Means of Electrophoretic and Potentiometric Techniques

M. Quadri, G. Roda, C. Matera, 2015 .

Application of the Ugi reaction with multiple amino acid-derived components: synthesis and conformational evaluation of piperazine-based minimalist peptidomimetics.

R. Cetin-Atalay, M. Christodoulou, G. Pescitelli, 2015, Organic & biomolecular chemistry.

Computationally Driven Structure Optimization, Synthesis, and Biological Evaluation of Imidazole-Based Proprotein Convertase Subtilisin/Kexin 9 (PCSK9) Inhibitors.

C. Lammi, A. Arnoldi, Jacopo Sgrignani, 2019, Journal of medicinal chemistry.

Insight into the Mechanism of Hydrolysis of Meropenem by OXA-23 Serine-β-lactamase Gained by Quantum Mechanics/Molecular Mechanics Calculations.

Jacopo Sgrignani, M. De Amici, G. Grazioso, 2016, Biochemistry.

Inactivation of TEM-1 by avibactam (NXL-104): insights from quantum mechanics/molecular mechanics metadynamics simulations.

G. Colombo, Jacopo Sgrignani, M. De Amici, 2014, Biochemistry.

Oxidation State Dependent Conformational Changes of HMGB1 Regulate the Formation of the CXCL12/HMGB1 Heterocomplex

A. Cavalli, M. Uguccioni, Jacopo Sgrignani, 2019, bioRxiv.

Oxidation State Dependent Conformational Changes of HMGB1 Regulate the Formation of the CXCL12/HMGB1 Heterocomplex.

A. Cavalli, M. Uguccioni, Jacopo Sgrignani, 2019, Computational and structural biotechnology journal.

Focused Design of Novel Cyclic Peptides Endowed with GABARAP-Inhibiting Activity

A. Cavalli, M. Mori, G. Roda, 2022, International journal of molecular sciences.

Design, Synthesis, and Pharmacological Characterization of Novel Spirocyclic Quinuclidinyl‐Δ2‐Isoxazoline Derivatives as Potent and Selective Agonists of α7 Nicotinic Acetylcholine Receptors

C. Gotti, F. Clementi, K. Frydenvang, 2011, ChemMedChem.

Biological Characterization of Computationally Designed Analogs of peptide TVFTSWEEYLDWV (Pep2-8) with Increased PCSK9 Antagonistic Activity

C. Lammi, A. Arnoldi, Jacopo Sgrignani, 2019, Scientific Reports.

Trans-Epithelial Transport, Metabolism, and Biological Activity Assessment of the Multi-Target Lupin Peptide LILPKHSDAD (P5) and Its Metabolite LPKHSDAD (P5-Met)

C. Lammi, Carlotta Bollati, Martina Bartolomei, 2021, Nutrients.

Rational design of allosteric modulators of the aromatase enzyme: An unprecedented therapeutic strategy to fight breast cancer.

G. Colombo, N. Zaffaroni, A. Magistrato, 2019, European journal of medicinal chemistry.

Synthesis of enantiomerically pure HIP-A and HIP-B and investigation of their activity as inhibitors of excitatory amino acid transporters

M. Gobbi, A. Pinto, L. Tamborini, 2008 .

Novel tricyclic Delta(2)-isoxazoline and 3-oxo-2-methyl-isoxazolidine derivatives: synthesis and binding affinity at neuronal nicotinic acetylcholine receptor subtypes.

C. Gotti, F. Clementi, C. Matera, 2010, Bioorganic & medicinal chemistry.

Design of novel alpha7-subtype-preferring nicotinic acetylcholine receptor agonists: application of docking and MM-PBSA computational approaches, synthetic and pharmacological studies.

C. Gotti, C. Matera, M. De Amici, 2009, Bioorganic & medicinal chemistry letters.

Synthesis of Conformationally Constrained Glutamic Acid Homologues and Investigation of Their Pharmacological Profiles

A. Pinto, L. Tamborini, P. Conti, 2007, ChemMedChem.

Synthesis of 3‐Hydroxy‐ and 3‐Carboxy‐Δ2‐isoxazoline Amino Acids and Evaluation of Their Interaction with GABA Receptors and Transporters

A. Pinto, L. Tamborini, P. Conti, 2006 .

Synthesis of novel epibatidine-related derivatives through 1,3-dipolar cycloaddition of pyridinenitrile oxides

C. Dallanoce, G. Grazioso, M. Amici, 2006 .

Peptidomimetics containing a vinyl ketone warhead as falcipain-2 inhibitors.

T. Schirmeister, S. Giofrè, M. Zappalà, 2011, European journal of medicinal chemistry.

Isonitrile-Based Multicomponent Synthesis of β-Amino Boronic Acids as β-Lactamase Inhibitors

L. Lo Presti, Jacopo Sgrignani, J. Docquier, 2020, Antibiotics.

Synthesis, binding affinity at glutamic acid receptors, neuroprotective effects, and molecular modeling investigation of novel dihydroisoxazole amino acids.

F. Acher, K. Hansen, G. Roda, 2005, Journal of medicinal chemistry.

Synthesis of new isoxazoline-based acidic amino acids and investigation of their affinity and selectivity profile at ionotropic glutamate receptors.

A. Pinto, L. Tamborini, P. Conti, 2011, European journal of medicinal chemistry.

Synthesis and molecular modeling of novel dihydroxycyclopentane-carbonitrile nor-nucleosides by bromonitrile oxide 1,3-dipolar cycloaddition

L. Legnani, B. Bovio, G. Grazioso, 2012 .

Disrupting the PCSK9/LDLR protein-protein interaction by an imidazole-based minimalist peptidomimetic.

Carmen Lammi, Giovanni Grazioso, Silvia Manara, 2016, Organic & biomolecular chemistry.

Design of Cyclopentaisoxazoline Amino Acids as Conformationally Constrained Agonists at Glutamate Receptors

L. Toma, G. Roda, P. Conti, 2003 .

Design, synthesis, and pharmacological characterization of novel, potent NMDA receptor antagonists.

G. De Sarro, L. Toma, G. Roda, 2004, Journal of medicinal chemistry.

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

Andrea Cavalli, Maurizio Recanatini, Giovanni Grazioso, 2008, J. Comput. Chem..

Synthesis and Molecular Modeling Studies of Derivatives of a Highly Potent Peptidomimetic Vinyl Ester as Falcipain‐2 Inhibitors

Maria Zappalà, Giovanni Grazioso, Tanja Schirmeister, 2012, ChemMedChem.

Computational approaches in the rational design of improved carbonyl quenchers: focus on histidine containing dipeptides.

G. Aldini, G. Vistoli, A. Pedretti, 2016, Future medicinal chemistry.

Diazabicyclo analogues of maraviroc: synthesis, modeling, NMR studies and antiviral activity† †The authors declare no competing interests. ‡ ‡Electronic supplementary information (ESI) available. See DOI: 10.1039/c6md00575f

L. Lopalco, M. Mori, D. Colombo, 2016, MedChemComm.

Synthesis of Novel N1‐Substituted Bicyclic Pyrazole Amino Acids and Evaluation of Their Interaction with Glutamate Receptors

G. Roda, A. Pinto, P. Conti, 2005, Chemistry & biodiversity.

Synthesis of Epibatidine‐Related Δ2‐Isoxazoline Derivatives and Evaluation of Their Binding Affinity at Neuronal Nicotinic Acetylcholine Receptors

C. Gotti, F. Clementi, C. Dallanoce, 2006 .

How Computational Chemistry and Drug Delivery Techniques Can Support the Development of New Anticancer Drugs

Andrea Cavalli, Giovanni Grazioso, Mariangela Garofalo, 2020, Molecules.

Investigation of Chlorella pyrenoidosa Protein as a Source of Novel Angiotensin I-Converting Enzyme (ACE) and Dipeptidyl Peptidase-IV (DPP-IV) Inhibitory Peptides

G. Roda, C. Lammi, Carlotta Bollati, 2021, Nutrients.

First Food-Derived Peptide Inhibitor of the Protein-Protein Interaction between Gain-of-Function PCSK9D374Y and the Low-Density Lipoprotein Receptor.

C. Lammi, Carlotta Bollati, A. Arnoldi, 2018, Journal of agricultural and food chemistry.

Systematic development of peptide inhibitors targeting the CXCL12/HMGB1 interaction

A. Cavalli, L. Varani, L. Simonelli, 2019, bioRxiv.

Engineering of α‐conotoxin MII‐derived peptides with increased selectivity for native α6β2∗ nicotinic acetylcholine receptors

D. Bertrand, L. Rizzi, R. Longhi, 2011, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.

Synthesis, chiral resolution, and enantiopharmacology of a potent 2,3-benzodiazepine derivative as noncompetitive AMPA receptor antagonist.

F. Menniti, G. De Sarro, G. Roda, 2006, Journal of medicinal chemistry.

New spirocyclic Δ²-isoxazoline derivatives related to selective agonists of α7 neuronal nicotinic acetylcholine receptors.

C. Gotti, F. Clementi, C. Matera, 2011, European journal of medicinal chemistry.

Covalent docking of selected boron-based serine beta-lactamase inhibitors

Giovanni Grazioso, Jacopo Sgrignani, Beatrice Novati, 2015, Journal of Computer-Aided Molecular Design.

Synthesis, Chiral Resolution and Pharmacological Evaluation of a 2,3‐Benzodiazepine‐Derived Noncompetitive AMPA Receptor Antagonist

T. Mennini, P. Ficarra, M. Zappalà, 2009, ChemMedChem.

New Analogues of Epiboxidine Incorporating the 4,5‐Dihydroisoxazole Nucleus: Synthesis, Binding Affinity at Neuronal Nicotinic Acetylcholine Receptors, and Molecular Modeling Investigations

Giovanni Grazioso, Clelia Dallanoce, Cecilia Gotti, 2009, Chemistry & biodiversity.

Nicotine-Modulated Subunit Stoichiometry Affects Stability and Trafficking of α3β4 Nicotinic Receptor

S. Colombo, N. Borgese, C. Gotti, 2013, The Journal of Neuroscience.

Structure-based drug design, synthesis and biological assays of P. falciparum Atg3–Atg8 protein–protein interaction inhibitors

Arianna Gelain, Laura Legnani, Diego Colombo, 2018, Journal of Computer-Aided Molecular Design.

Mechanism of falcipain-2 inhibition by α,β-unsaturated benzo[1,4]diazepin-2-one methyl ester

Laura Legnani, Giovanni Grazioso, Carlo De Micheli, 2012, Journal of Computer-Aided Molecular Design.

Learning to Rank Food Images

Giovanni Maria Farinella, Filippo Stanco, Dario Allegra, 2019, ICIAP.

Exploring Proprotein Convertase Subtilisin/Kexin 9 (PCSK9) Autoproteolysis Process by Molecular Simulations: Hints for Drug Design.

G. Roda, C. Lammi, Jacopo Sgrignani, 2020, ChemMedChem.

Investigating the mechanism of substrate uptake and release in the glutamate transporter homologue Glt(Ph) through metadynamics simulations.

Michele Parrinello, Ettore Novellino, Giovanni Grazioso, 2012, Journal of the American Chemical Society.

Inhibition of PCSK9D374Y/LDLR Protein-Protein Interaction by Computationally Designed T9 Lupin Peptide.

G. Roda, C. Lammi, A. Arnoldi, 2018, ACS medicinal chemistry letters.

Computational Design, Synthesis, and Biological Evaluation of Diimidazole Analogues Endowed with Dual PCSK9/HMG-CoAR-Inhibiting Activity

G. Roda, C. Lammi, M. Camera, 2023, Journal of medicinal chemistry.

Structure-based approach for identification of novel phenylboronic acids as serine-β-lactamase inhibitors

Da Duan, Giovanni Grazioso, Jacopo Sgrignani, 2016, Journal of Computer-Aided Molecular Design.

Allosteric Modulation of Alpha7 Nicotinic Receptors: Mechanistic Insight through Metadynamics and Essential Dynamics

Andrea Cavalli, Giovanni Grazioso, Jacopo Sgrignani, 2015, J. Chem. Inf. Model..

Bifunctional compounds targeting both D2 and non-α7 nACh receptors: design, synthesis and pharmacological characterization.

M. Zoli, C. Missale, C. Gotti, 2015, European journal of medicinal chemistry.

Lupin Peptides Modulate the Protein-Protein Interaction of PCSK9 with the Low Density Lipoprotein Receptor in HepG2 Cells

C. Lammi, A. Arnoldi, C. Zanoni, 2016, Scientific Reports.

Molecular dynamics simulations of the Salmonella typhi Vi antigenic polysaccharide and effects of the introduction of a zwitterionic motif.

L. Legnani, F. Compostella, L. Toma, 2011, Organic & biomolecular chemistry.

Mechanistic Insights into the Antibiofilm Mode of Action of Ellagic Acid

F. Villa, F. Cappitelli, M. Mori, 2023, Pharmaceutics.

Insights into docking and scoring neuronal α4β2 nicotinic receptor agonists using molecular dynamics simulations and QM/MM calculations

Andrea Cavalli, Giovanni Grazioso, Jacopo Sgrignani, 2009, Journal of computational chemistry.

Unlocking the Antibiofilm Potential of Natural Compounds by Targeting the NADH:quinone Oxidoreductase WrbA.

F. Villa, F. Cappitelli, M. Mori, 2023, Antioxidants.

Investigating the hydrogen-bond acceptor site of the nicotinic pharmacophore model: a computational and experimental study using epibatidine-related molecular probes

Giovanni Grazioso, Marco De Amici, Carlo Matera, 2013, Journal of Computer-Aided Molecular Design.

Development of AMBER Parameters for Molecular Simulations of Selected Boron-Based Covalent Ligands

L. Legnani, M. Chiacchio, G. Grazioso, 2023, Molecules.

Computational Design and Biological Evaluation of Analogs of Lupin Peptide P5 Endowed with Dual PCSK9/HMG-CoAR Inhibiting Activity

C. Lammi, Martina Bartolomei, A. Arnoldi, 2022, Pharmaceutics.

Systematic Development of Peptide Inhibitors Targeting the CXCL12/HMGB1 Interaction.

L. Simonelli, M. Pedotti, M. Uguccioni, 2021, Journal of medicinal chemistry.

Alkene Epoxidations Mediated by Mn-Salen Macrocyclic Catalysts

L. Legnani, M. Chiacchio, G. Trusso Sfrazzetto, 2021, Catalysts.

Investigating the mechanism of substrate uptake and release in the glutamate transporter homologue Glt(Ph) through metadynamics simulations.

A. Cavalli, M. Parrinello, E. Novellino, 2012, Journal of the American Chemical Society.

Determination of Acid Dissociation Constants of Compounds Active at Neuronal Nicotinic Acetylcholine Receptors by Means of Electrophoretic and Potentiometric Techniques

M. De Amici, C. Dallanoce, G. Grazioso, 2010, Analytical sciences : the international journal of the Japan Society for Analytical Chemistry.