List of works - Giulio Vistoli

1-[3-(4-Butylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinolin-2-one (77-LH-28-1) as a Model for the Rational Design of a Novel Class of Brain Penetrant Ligands with High Affinity and Selectivity for Dopamine D4 Receptor.

scientific article published on 28 March 2018

5-(2-Pyrrolidinyl)oxazolidinones and 2-(2-pyrrolidinyl)benzodioxanes: synthesis of all the stereoisomers and alpha4beta2 nicotinic affinity

scientific article

A Combined High-Resolution Mass Spectrometric and in silico Approach for the Characterisation of Small Ligands of β2-Microglobulin

scientific article published on 01 July 2010

A molecular modelling approach to rationalize the stereochemical outcome of the Burkholderia cepacia lipase-catalyzed transesterification of aromatic primary alcohols with vinyl esters with different chain lengths in chloroform

A novel high resolution MS approach for the screening of 4-hydroxy-trans-2-nonenal sequestering agents

scientific article published in January 2014

A sensitive and specific precursor ion scanning approach in liquid chromatography/electrospray ionization tandem mass spectrometry to detect methylprednisolone acetate and its metabolites in rat urine

scientific article published in June 2010

Actin Cys374 as a nucleophilic target of α,β-unsaturated aldehydes

scientific article published on 30 November 2006

Advanced glycation end products of beta2-microglobulin in uremic patients as determined by high resolution mass spectrometry

scientific article published on 28 December 2013

Advanced glycoxidation and lipoxidation end products (AGEs and ALEs): an overview of their mechanisms of formation.

scientific article

Albumin is the main nucleophilic target of human plasma: a protective role against pro-atherogenic electrophilic reactive carbonyl species?

scientific article published on 7 March 2008

An Insight into the Skin Penetration Enhancement Mechanism of N-Methylpyrrolidone

scientific article published on 30 January 2014

Analysis of the full-length integrase–DNA complex by a modified approach for DNA docking

article

Antiproliferative activity on human prostate carcinoma cell lines of new peptidomimetics containing the spiroazepinoindolinone scaffold

scientific article published on 13 June 2013

Ask the experts: focus on computational chemistry

scientific article published in June 2011

Assessing drug-likeness--what are we missing?

scientific article published on 16 January 2008

Atom-type description language: a universal language to recognize atom types implemented in the VEGA program

article by A. Pedretti et al published 1 May 2003 in Theoretical Chemistry Accounts

Atomic diversity, molecular diversity, and chemical diversity: the concept of chemodiversity

scientific article published in August 2009

Binary polymeric blends to microencapsulate nitroflurbiprofen: physicochemical and in silico studies

scientific article published in April 2007

Binding Space Concept: A New Approach To Enhance the Reliability of Docking Scores and Its Application to Predicting Butyrylcholinesterase Hydrolytic Activity

scientific article published on 20 June 2017

Binding site analysis of full-length alpha1a adrenergic receptor using homology modeling and molecular docking.

scientific article

Chemodiversity and molecular plasticity: recognition processes as explored by property spaces

scientific article published on June 2011

Chiral Mercaptoacetamides Display Enantioselective Inhibition of Histone Deacetylase 6 and Exhibit Neuroprotection in Cortical Neuron Models of Oxidative Stress

scientific article published on 10 January 2012

Comparative modeling of the quaternary structure for the human TRPM8 channel and analysis of its binding features

scientific article

Construction of human ghrelin receptor (hGHS-R1a) model using a fragmental prediction approach and validation through docking analysis

scientific article published on June 2006

Corrigendum to “Synthesis and α4β2 nicotinic affinity of unichiral 5-(2-pyrrolidinyl)oxazolidinones and 2-(2-pyrrolidinyl)benzodioxanes” [Bioorg. Med. Chem. Lett. 16 (2006) 5610–5615]

scholarly article published in Bioorganic & Medicinal Chemistry Letters

Covalent Modifications of Albumin Cys34 as a Biomarker of Mild Oxidative Stress

Covalent modification of actin by 4-hydroxy-trans-2-nonenal (HNE): LC-ESI-MS/MS evidence for Cys374 Michael adduction

scientific article published in July 2005

Crystallographic, spectroscopic, and theoretical investigation of the efficiently separated 21R and 21S-diastereoisomers of argatroban

scientific article

Delta12-prostaglandin J2 as a product and ligand of human serum albumin: formation of an unusual covalent adduct at His146

scientific article

Design of novel conformationally restricted analogues of glutamic acid

Design, Synthesis, and Evaluation of Acrylamide Derivatives as Direct NLRP3 Inflammasome Inhibitors

scientific article published on 17 March 2016

Design, synthesis and binding affinity of acetylcholine carbamoyl analogues

scientific article published on 18 September 2013

Design, synthesis, ADME properties, and pharmacological activities of β-alanyl-D-histidine (D-carnosine) prodrugs with improved bioavailability

scientific article published in June 2011

Design, synthesis, and evaluation of carnosine derivatives as selective and efficient sequestering agents of cytotoxic reactive carbonyl species

scientific article published in June 2009

Development and validation of a sensitive LC-MS/MS assay for the quantification of anserine in human plasma and urine and its application to pharmacokinetic study

article

Docking analyses on human muscarinic receptors: unveiling the subtypes peculiarities in agonists binding

scientific article published on 7 January 2008

Edaravone inhibits protein carbonylation by a direct carbonyl-scavenging mechanism: focus on reactivity, selectivity, and reaction mechanisms

scientific article published in March 2010

Effects of metal ions on entero-soluble poly(methacrylic acid-methyl methacrylate) coating: a combined analysis by ATR-FTIR spectroscopy and computational approaches.

scientific article published in April 2010

Enhanced activity or resistance of adenosine derivatives towards adenosine deaminase-catalyzed deamination: Influence of ribose modifications

scientific article

Enhancing the Reliability of GPCR Models by Accounting for Flexibility of Their Pro-Containing Helices: the Case of the Human mAChR1 Receptor

scientific article published on 20 March 2015

Evaluation of Amides, Carbamates, Sulfonamides, and Ureas of 4-Prop-2-ynylidenecycloalkylamine as Potent, Selective, and Bioavailable Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5

scientific article published on 28 January 2019

Exploring the activation mechanism of TRPM8 channel by targeted MD simulations

article published in 2011

Exploring the space of histidine containing dipeptides in search of novel efficient RCS sequestering agents

scientific article published on 30 May 2013

FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes

scientific article published on 30 July 2019

Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping

scientific article published on 16 June 2011

Fragmental modeling of human glutamate transporter EAAT1 and analysis of its binding modes by docking and pharmacophore mapping

scientific article published in January 2008

Homology Modeling of Human Serum Carnosinase, a Potential Medicinal Target, and MD Simulations of Its Allosteric Activation by Citrate

article

Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by GriDock: a parallelized tool based on AutoDock 4.0.

scientific article published on 11 July 2010

Homology modelling of human DHCR24 (seladin-1) and analysis of its binding properties through molecular docking and dynamics simulations

scientific article published on 23 February 2008

Identification of actin as a 15-deoxy-Delta12,14-prostaglandin J2 target in neuroblastoma cells: mass spectrometric, computational, and functional approaches to investigate the effect on cytoskeletal derangement.

scientific article published on 13 February 2007

In silico prediction of human carboxylesterase-1 (hCES1) metabolism combining docking analyses and MD simulations

scientific article published in 2010

Influence of ionization state on the activation of temocapril by hCES1: a molecular-dynamics study

scientific article published in November 2009

Insights into the structural determinants required for high-affinity binding of chiral cyclopropane-containing ligands to α4β2-nicotinic acetylcholine receptors: an integrated approach to behaviorally active nicotinic ligands

scientific article

Investigation of the Role of Chirality in the Interaction with σ Receptors and Effect on Binge Eating Episode of a Potent σ1 Antagonist Analogue of Spipethiane

scientific article published on 23 July 2019

Isoxazole derivatives as potent transient receptor potential melastatin type 8 (TRPM8) agonists

scientific article published on 20 September 2013

Lack of enantioselectivity in the SULT1A3-catalyzed sulfoconjugation of normetanephrine enantiomers: an in vitro and computational study

scientific article published on 24 September 2012

MetaQSAR: An Integrated Database Engine to Manage and Analyze Metabolic Data.

scientific article published on 15 December 2017

Mode of interaction of 1,4-dioxane agonists at the M2 and M3 muscarinic receptor orthosteric sites

scholarly article by Fabio Del Bello published in August 2014

Modeling of binding modes and inhibition mechanism of some natural ligands of farnesyl transferase using molecular docking

scientific article published in March 2002

Modeling of human ghrelin receptor (hGHS-R1a) in its close state and validation by molecular docking

scientific article published in 2007

Modeling of the intestinal peptide transporter hPepT1 and analysis of its transport capacities by docking and pharmacophore mapping

scientific article

Modelling of full-length human alpha4beta2 nicotinic receptor by fragmental approach and analysis of its binding modes

scientific article

Molecular dynamics studies of the full-length integrase-DNA complex

scientific article published in November 2005

Molecular recognition of T:G mismatched base pairs in DNA as studied by electrospray ionization mass spectrometry

scientific article

Molecular strategies to prevent, inhibit, and degrade advanced glycoxidation and advanced lipoxidation end products.

scientific article published on 07 May 2013

Muscarinic receptors: A comparative analysis of structural features and binding modes through homology modelling and molecular docking

article

Musings on ADME predictions and structure-activity relations

scientific article published on November 2005

Naturally occurring N 6 -substituted adenosines (cytokinin ribosides) are in vitro inhibitors of platelet aggregation: An in silico evaluation of their interaction with the P2Y 12 receptor

article

New synthesis of 6[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid and evaluation of the influence of adamantyl group on the DNA binding of a naphthoic retinoid

scientific article published on 27 July 2011

Novel molecular approaches for improving enzymatic and nonenzymatic detoxification of 4-hydroxynonenal: toward the discovery of a novel class of bioactive compounds

scientific article published on 21 January 2014

On the selection of an opioid for local skin analgesia: Structure-skin permeability relationships

scientific article published on 28 April 2015

Optimization of 2-phenylcyclopropylmethylamines as selective serotonin 2C receptor agonists and their evaluation as potential antipsychotic agents

scientific article published on 10 February 2015

Organic Stereochemistry. Part 1. Symmetry Elements and Operations, Classification of Stereoisomers

article

Organic Stereochemistry. Part 4

article

Organic Stereochemistry. Part 5

article

Organic Stereochemistry. Part 6

article

Partition Coefficient and Molecular Flexibility: The Concept of Lipophilicity Space

scholarly article by Giulio Vistoli published in August 2009

Peptidomimetic inhibitors of farnesyltransferase with high in vitro activity and significant cellular potency

scientific article published on 8 September 2007

Predicting the physicochemical profile of diastereoisomeric histidine-containing dipeptides by property space analysis

scientific article published on 8 May 2012

Prenylated Curcumin Analogues as Multipotent Tools To Tackle Alzheimer's Disease

scientific article published on 02 January 2019

Protein carbonylation: 2,4-dinitrophenylhydrazine reacts with both aldehydes/ketones and sulfenic acids.

scientific article published on 5 March 2009

Protein haptenation by amoxicillin: High resolution mass spectrometry analysis and identification of target proteins in serum

article

QSAR study for a novel series of ortho disubstituted phenoxy analogues of alpha1-adrenoceptor antagonist WB4101.

scientific article published on 5 June 2006

QSAR study for a novel series of ortho monosubstituted phenoxy analogues of alpha1-adrenoceptor antagonist WB4101.

scientific article

Range and Sensitivity as Descriptors of Molecular Property Spaces in Dynamic QSAR Analyses

Reactions and enzymes in the metabolism of drugs and other xenobiotics

SPILLO-PBSS: detecting hidden binding sites within protein 3D-structures through a flexible structure-based approach

scientific article

Screening of Mpro Protease (SARS-CoV-2) Covalent Inhibitors from an Anthocyanin-Rich Blueberry Extract Using an HRMS-Based Analytical Platform

scientific article published in 2024

Screening of fibrillogenesis inhibitors of β2-microglobulin: integrated strategies by mass spectrometry capillary electrophoresis and in silico simulations

scientific article

Small molecules as exemplars of emergent properties and diversification into the 'adjacent possible'.

scientific article

Solvent constraints on the property space of acetylcholine. 2. Ordered media

scientific article

Solvent constraints on the property space of acetylcholine. I. Isotropic solvents

scientific article

Stereoselective HDAC inhibition from cysteine-derived zinc-binding groups.

scientific article published in August 2009

Structure and dynamics of the full-length M1 muscarinic acetylcholine receptor studied by molecular dynamics simulations

scientific article published on 15 September 2007

Structure elucidation and NMR assignments of two new pyrrolidinyl quinoline alkaloids from chestnut honey

scientific article published in May 2009

Structure-affinity studies for a novel series of homochiral naphtho and tetrahydronaphtho analogues of alpha 1 antagonist WB-4101.

scientific article published in September 2004

Synthesis and biological evaluation of a novel series of heterobivalent muscarinic ligands based on xanomeline and 1-[3-(4-butylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinolin-2-one (77-LH-28-1).

scientific article published on 16 October 2014

Synthesis and molecular modeling of 1H-pyrrolopyrimidine-2,4-dione derivatives as ligands for the α1-adrenoceptors

scientific article published on 21 June 2011

Synthesis and α4β2 nicotinic affinity of unichiral 5-(2-pyrrolidinyl)oxazolidinones and 2-(2-pyrrolidinyl)benzodioxanes

scientific article published in 2006

The Approach of Conformational Chimeras to Model the Role of Proline-Containing Helices on GPCR Mobility: the Fertile Case of Cys-LTR1

article

The Role of the Conformational Profile of Polysaccharides on Skin Penetration: The Case of Hyaluronan and Its Sulfates

scientific article published on 01 April 2014

The carbonyl scavenger carnosine ameliorates dyslipidaemia and renal function in Zucker obese rats

scientific article

The conformational and property space of acetylcholine bound to muscarinic receptors: an entropy component accounts for the subtype selectivity of acetylcholine

scientific article published on 15 May 2007

The solute-solvent system: solvent constraints on the conformational dynamics of acetylcholine

scientific article

Transforming dietary peptides in promising lead compounds: the case of bioavailable carnosine analogs ⬇️

scientific article published on July 1, 2012

Unichiral 2-(2'-pyrrolidinyl)-1,4-benzodioxanes: the 2R,2'S diastereomer of the N-methyl-7-hydroxy analogue is a potent α4β2- and α6β2-nicotinic acetylcholine receptor partial agonist

scientific article published on 11 October 2011

VEGA – An open platform to develop chemo-bio-informatics applications, using plug-in architecture and script programming

scientific article

VEGA: a versatile program to convert, handle and visualize molecular structure on Windows-based PCs.

scientific article published in August 2002

WarpEngine, a Flexible Platform for Distributed Computing Implemented in the VEGA Program and Specially Targeted for Virtual Screening Studies

scientific article published on 21 May 2018

List of works by Giulio Vistoli

1-[3-(4-Butylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinolin-2-one (77-LH-28-1) as a Model for the Rational Design of a Novel Class of Brain Penetrant Ligands with High Affinity and Selectivity for Dopamine D4 Receptor.

5-(2-Pyrrolidinyl)oxazolidinones and 2-(2-pyrrolidinyl)benzodioxanes: synthesis of all the stereoisomers and alpha4beta2 nicotinic affinity

A Combined High-Resolution Mass Spectrometric and in silico Approach for the Characterisation of Small Ligands of β2-Microglobulin

A molecular modelling approach to rationalize the stereochemical outcome of the Burkholderia cepacia lipase-catalyzed transesterification of aromatic primary alcohols with vinyl esters with different chain lengths in chloroform

A novel high resolution MS approach for the screening of 4-hydroxy-trans-2-nonenal sequestering agents

A sensitive and specific precursor ion scanning approach in liquid chromatography/electrospray ionization tandem mass spectrometry to detect methylprednisolone acetate and its metabolites in rat urine

Actin Cys374 as a nucleophilic target of α,β-unsaturated aldehydes

Advanced glycation end products of beta2-microglobulin in uremic patients as determined by high resolution mass spectrometry

Advanced glycoxidation and lipoxidation end products (AGEs and ALEs): an overview of their mechanisms of formation.

Albumin is the main nucleophilic target of human plasma: a protective role against pro-atherogenic electrophilic reactive carbonyl species?

An Insight into the Skin Penetration Enhancement Mechanism of N-Methylpyrrolidone

Analysis of the full-length integrase–DNA complex by a modified approach for DNA docking

Antiproliferative activity on human prostate carcinoma cell lines of new peptidomimetics containing the spiroazepinoindolinone scaffold

Ask the experts: focus on computational chemistry

Assessing drug-likeness--what are we missing?

Atom-type description language: a universal language to recognize atom types implemented in the VEGA program

Atomic diversity, molecular diversity, and chemical diversity: the concept of chemodiversity

Binary polymeric blends to microencapsulate nitroflurbiprofen: physicochemical and in silico studies

Binding Space Concept: A New Approach To Enhance the Reliability of Docking Scores and Its Application to Predicting Butyrylcholinesterase Hydrolytic Activity

Binding site analysis of full-length alpha1a adrenergic receptor using homology modeling and molecular docking.

Chemodiversity and molecular plasticity: recognition processes as explored by property spaces

Chiral Mercaptoacetamides Display Enantioselective Inhibition of Histone Deacetylase 6 and Exhibit Neuroprotection in Cortical Neuron Models of Oxidative Stress

Comparative modeling of the quaternary structure for the human TRPM8 channel and analysis of its binding features

Construction of human ghrelin receptor (hGHS-R1a) model using a fragmental prediction approach and validation through docking analysis

Corrigendum to “Synthesis and α4β2 nicotinic affinity of unichiral 5-(2-pyrrolidinyl)oxazolidinones and 2-(2-pyrrolidinyl)benzodioxanes” [Bioorg. Med. Chem. Lett. 16 (2006) 5610–5615]

Covalent Modifications of Albumin Cys34 as a Biomarker of Mild Oxidative Stress

Covalent modification of actin by 4-hydroxy-trans-2-nonenal (HNE): LC-ESI-MS/MS evidence for Cys374 Michael adduction

Crystallographic, spectroscopic, and theoretical investigation of the efficiently separated 21R and 21S-diastereoisomers of argatroban

Delta12-prostaglandin J2 as a product and ligand of human serum albumin: formation of an unusual covalent adduct at His146

Design of novel conformationally restricted analogues of glutamic acid

Design, Synthesis, and Evaluation of Acrylamide Derivatives as Direct NLRP3 Inflammasome Inhibitors

Design, synthesis and binding affinity of acetylcholine carbamoyl analogues

Design, synthesis, ADME properties, and pharmacological activities of β-alanyl-D-histidine (D-carnosine) prodrugs with improved bioavailability

Design, synthesis, and evaluation of carnosine derivatives as selective and efficient sequestering agents of cytotoxic reactive carbonyl species

Development and validation of a sensitive LC-MS/MS assay for the quantification of anserine in human plasma and urine and its application to pharmacokinetic study

Docking analyses on human muscarinic receptors: unveiling the subtypes peculiarities in agonists binding

Edaravone inhibits protein carbonylation by a direct carbonyl-scavenging mechanism: focus on reactivity, selectivity, and reaction mechanisms

Effects of metal ions on entero-soluble poly(methacrylic acid-methyl methacrylate) coating: a combined analysis by ATR-FTIR spectroscopy and computational approaches.

Enhanced activity or resistance of adenosine derivatives towards adenosine deaminase-catalyzed deamination: Influence of ribose modifications

Enhancing the Reliability of GPCR Models by Accounting for Flexibility of Their Pro-Containing Helices: the Case of the Human mAChR1 Receptor

Evaluation of Amides, Carbamates, Sulfonamides, and Ureas of 4-Prop-2-ynylidenecycloalkylamine as Potent, Selective, and Bioavailable Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5

Exploring the activation mechanism of TRPM8 channel by targeted MD simulations

Exploring the space of histidine containing dipeptides in search of novel efficient RCS sequestering agents

FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes

Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping

Fragmental modeling of human glutamate transporter EAAT1 and analysis of its binding modes by docking and pharmacophore mapping

Homology Modeling of Human Serum Carnosinase, a Potential Medicinal Target, and MD Simulations of Its Allosteric Activation by Citrate

Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by GriDock: a parallelized tool based on AutoDock 4.0.

Homology modelling of human DHCR24 (seladin-1) and analysis of its binding properties through molecular docking and dynamics simulations

Identification of actin as a 15-deoxy-Delta12,14-prostaglandin J2 target in neuroblastoma cells: mass spectrometric, computational, and functional approaches to investigate the effect on cytoskeletal derangement.

In silico prediction of human carboxylesterase-1 (hCES1) metabolism combining docking analyses and MD simulations

Influence of ionization state on the activation of temocapril by hCES1: a molecular-dynamics study

Insights into the structural determinants required for high-affinity binding of chiral cyclopropane-containing ligands to α4β2-nicotinic acetylcholine receptors: an integrated approach to behaviorally active nicotinic ligands

Investigation of the Role of Chirality in the Interaction with σ Receptors and Effect on Binge Eating Episode of a Potent σ1 Antagonist Analogue of Spipethiane

Isoxazole derivatives as potent transient receptor potential melastatin type 8 (TRPM8) agonists

Lack of enantioselectivity in the SULT1A3-catalyzed sulfoconjugation of normetanephrine enantiomers: an in vitro and computational study

MetaQSAR: An Integrated Database Engine to Manage and Analyze Metabolic Data.

Mode of interaction of 1,4-dioxane agonists at the M2 and M3 muscarinic receptor orthosteric sites

Modeling of binding modes and inhibition mechanism of some natural ligands of farnesyl transferase using molecular docking

Modeling of human ghrelin receptor (hGHS-R1a) in its close state and validation by molecular docking

Modeling of the intestinal peptide transporter hPepT1 and analysis of its transport capacities by docking and pharmacophore mapping

Modelling of full-length human alpha4beta2 nicotinic receptor by fragmental approach and analysis of its binding modes

Molecular dynamics studies of the full-length integrase-DNA complex

Molecular recognition of T:G mismatched base pairs in DNA as studied by electrospray ionization mass spectrometry

Molecular strategies to prevent, inhibit, and degrade advanced glycoxidation and advanced lipoxidation end products.

Muscarinic receptors: A comparative analysis of structural features and binding modes through homology modelling and molecular docking

Musings on ADME predictions and structure-activity relations

Naturally occurring N 6 -substituted adenosines (cytokinin ribosides) are in vitro inhibitors of platelet aggregation: An in silico evaluation of their interaction with the P2Y 12 receptor

New synthesis of 6[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid and evaluation of the influence of adamantyl group on the DNA binding of a naphthoic retinoid

Novel molecular approaches for improving enzymatic and nonenzymatic detoxification of 4-hydroxynonenal: toward the discovery of a novel class of bioactive compounds

On the selection of an opioid for local skin analgesia: Structure-skin permeability relationships

Optimization of 2-phenylcyclopropylmethylamines as selective serotonin 2C receptor agonists and their evaluation as potential antipsychotic agents

Organic Stereochemistry. Part 1. Symmetry Elements and Operations, Classification of Stereoisomers

Organic Stereochemistry. Part 4

Organic Stereochemistry. Part 5

Organic Stereochemistry. Part 6

Partition Coefficient and Molecular Flexibility: The Concept of Lipophilicity Space

Peptidomimetic inhibitors of farnesyltransferase with high in vitro activity and significant cellular potency

Predicting the physicochemical profile of diastereoisomeric histidine-containing dipeptides by property space analysis