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MARCO TUTONE

Pubblicazioni

Data Titolo Tipologia Scheda
2020 The in silico fischer lock-and-key model: The combined use of molecular descriptors and docking poses for the repurposing of old drugs Capitolo o Saggio Vai
2019 Strategies against nonsense: oxadiazoles as translational readthrough-inducing drugs (TRIDs) Articolo in rivista Vai
2019 Indicaxanthin, a multi-target natural compound from Opuntia ficus-indica fruit: From its poly-pharmacological effects to biochemical mechanisms and molecular modelling studies Articolo in rivista Vai
2019 Uno studio comparativo in silico sui possibili target di Ataluren e analoghi farmaci promotori di readthrough di codoni di stop prematuri Proceedings (TIPOLOGIA NON ATTIVA) Vai
2019 Deciphering the Nonsense Readthrough Mechanism of Action of Ataluren: An in Silico Compared Study Articolo in rivista Vai
2019 Predicting Skin Permeability by Means of Computational Approaches: Reliability and Caveats in Pharmaceutical Studies Articolo in rivista Vai
2018 Identification of a new molecule with readthrough activity to rescue CFTR protein function Proceedings (TIPOLOGIA NON ATTIVA) Vai
2018 Natural bioactive molecules induce a reduction of surface alpha-enolase in breast cancer cells Proceedings (TIPOLOGIA NON ATTIVA) Vai
2018 CHA on CDK2: a way to identify the best pharmacophore model for the virtual screening of new inhibitors Proceedings (TIPOLOGIA NON ATTIVA) Vai
2018 Consensus modelling and molecular dynamics studies for the identification of novel telomerase inhibitors as anti-cancer agents Proceedings (TIPOLOGIA NON ATTIVA) Vai
2018 Derivati Ossadiazolici per il trattamento della fibrosi cistica: Readthrough di mutazioni nonsense Proceedings (TIPOLOGIA NON ATTIVA) Vai
2018 Rescuing the CFTR protein function: Introducing 1,3,4-oxadiazoles as translational readthrough inducing drugs Articolo in rivista Vai
2018 Rescuing CFTR Protein Function: 1,3,4-oxadiazoles versus 1,2,4-oxadiazoles as readthrough inducing drugs Proceedings (TIPOLOGIA NON ATTIVA) Vai
2018 Reverse screening on indicaxanthin from Opuntia ficus-indica as natural chemoactive and chemopreventive agent Articolo in rivista Vai
2018 Reverse Screening on Indicaxanthin from Opuntia ficus-indica as natural chemoactive and chemopreventive agent Abstract in atti di convegno pubblicato in volume Vai
2018 OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF GENETIC DISEASES DUE TO NONSENSE MUTATIONS Brevetto Vai
2017 Recent advances on CDK inhibitors: An insight by means of in silico methods Articolo in rivista Vai
2017 Conf-VLKA: A structure-based revisitation of the Virtual Lock-and-key Approach Articolo in rivista Vai
2017 A Molecular Dynamics-Shared Pharmacophore Approach to Boost Early-Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator-Activated Receptorα Articolo in rivista Vai
2017 Optimization of a new lead promoting the readthrough of the nonsense mutations for CFTR rescue in human CF cells Proceedings (TIPOLOGIA NON ATTIVA) Vai
2017 Micelles of the chiral biocompatible surfactant (1R,2S)-dodecyl-(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB): Molecular dynamics and fragmentation patterns in the gas phase Articolo in rivista Vai
2017 Micelles, Rods, Liposomes, and Other Supramolecular Surfactant Aggregates: Computational Approaches Articolo in rivista Vai
2017 The Molecular dYnamics SHAred PharmacophorE (MYSHAPE) approacha new tool to arise docking and pharmacophore modeling performance: virtues and vices Proceedings (TIPOLOGIA NON ATTIVA) Vai
2016 Exploring the readthrough of nonsense mutations by non-acidic Ataluren analogues selected by ligand-based virtual screening Articolo in rivista Vai
2016 Design, synthesis and preliminary evaluation of dopamine-amino acid conjugates as potential D1 dopaminergic modulators Articolo in rivista Vai
2016 Novel molecules for the readthrough of PTCs in biological model systems and in cystic fibrosis cells Proceedings (TIPOLOGIA NON ATTIVA) Vai
2016 A dynamic multiple receptor conformations (MD-MRC) approach to enhance early enrichment in virtual screening. A case study on PPAR-alpha Proceedings (TIPOLOGIA NON ATTIVA) Vai
2016 MOLECULAR DYNAMICS - MULTIPLE RECEPTOR CONFORMATIONS APPROACH TO ENHANCE STRUCTURE-BASED VIRTUAL SCREENING ON PPAR-alpha RECEPTOR Proceedings (TIPOLOGIA NON ATTIVA) Vai
2016 A dynamic-common pharmacophore approach to improve virtual screening. A case study on PPAR-alpha Proceedings (TIPOLOGIA NON ATTIVA) Vai
2015 Identification and validation of novel molecules obtained by integrated computational and experimental approaches for the read-through of PTCs in CF cells. Proceedings (TIPOLOGIA NON ATTIVA) Vai
2015 Phytochemical Indicaxanthin Inhibits Colon Cancer Cell Growth and Affects the DNA Methylation Status by Influencing Epigenetically Modifying Enzyme Expression and Activity Articolo in rivista Vai
2015 Theoretical Determination of the pK a Values of Betalamic Acid Related to the Free Radical Scavenger Capacity: Comparison Between Empirical and Quantum Chemical Methods Articolo in rivista Vai
2015 Indicaxanthin from Opuntia ficus-indica Crosses the Blood−Brain Barrier and Modulates Neuronal Bioelectric Activity in Rat Hippocampus at Dietary-Consistent Amounts. Articolo in rivista Vai
2015 Molecular modelling studies on dopamine-amino acid conjugates as potential dopaminergic modulators Proceedings (TIPOLOGIA NON ATTIVA) Vai
2015 Evaluation of matrix effect on the GC/MS response of eighteen pesticides by multivariate approach Proceedings (TIPOLOGIA NON ATTIVA) Vai
2015 Molecular modeling studies on dopamine-amino acid conjugates as potential dopaminergic modulators Proceedings (TIPOLOGIA NON ATTIVA) Vai
2015 Integrated computational and experimental approaches for the identification of new molecules with readthrough activity on premature termination codons (PTCs) in cystic fibrosis cells Proceedings (TIPOLOGIA NON ATTIVA) Vai
2015 Studies on a new potential dopaminergic agent: in vitro BBB permeability, in vivo behavioural effects and molecular docking evaluation Articolo in rivista Vai
2014 Identification and validation of novel molecules obtained by integrated computational and experimental approaches for the readthrough of PTCs in CF cells Proceedings (TIPOLOGIA NON ATTIVA) Vai
2014 Multivariate analysis in the identification of biological targets for designed molecular structures: The BIOTA protocol Articolo in rivista Vai
2014 Does ligand symmetry play a role in the stabilization of DNA g-quadruplex host-guest complexes? Articolo in rivista Vai
2014 Molecular dynamics, dynamic site mapping, and highthroughput virtual screening on leptin and the Ob receptor as anti-obesity target Articolo in rivista Vai
2014 DA-Phen, a new dopamine aminoacid conjugate: in vivo testing and molecular modeling as dopaminergic modulator Proceedings (TIPOLOGIA NON ATTIVA) Vai
2014 Leptin and the ob-receptor as anti-obesity target: recent in silico advances in the comprehension of the protein-protein interaction and rational drug design of anti-obesity lead compounds Articolo in rivista Vai
2013 Trans-epithelial transport of the betalain pigments indicaxanthin and betanin across Caco-2 cell monolayers and influence of food matrix Articolo in rivista Vai
2013 Theoretical Determination Of The pKas Of Betalamic Acid Related To The Free-Radical Scavenger Capacity: Comparison Between Semi-Empirical And Ab Initio Methods Proceedings (TIPOLOGIA NON ATTIVA) Vai
2013 A3 adenosine receptor: Homology modeling and 3D-QSAR studies Articolo in rivista Vai
2012 IN THE SEARCH OF LEPTIN AGONISTS AS ANTI-OBESITY DRUGS: PROTEIN/PROTEIN DOCKING, MOLECULAR DYNAMICS, AND VIRTUAL SCREENING Proceedings (TIPOLOGIA NON ATTIVA) Vai
2012 Molecular Modelling on Leptin and the Ob Receptor as anti-obesity target Proceedings (TIPOLOGIA NON ATTIVA) Vai
2012 In vitro and in silico studies of polycondensed diazine systems as anti-parasitic agents Articolo in rivista Vai
2012 Pharmacophore modelling as useful tool in the lead compounds identification and optimization Proceedings (TIPOLOGIA NON ATTIVA) Vai
2012 Studio del ruolo delle mutazioni “gatekeeper” V654A e T670I di c-kit kinase nell’interazione con inibitori attraverso un approccio misto Dinamica Molecolare/Docking Proceedings (TIPOLOGIA NON ATTIVA) Vai
2012 Molecular Dynamics studies on Mdm2 complexes: an analysis of the inhibitor influence Articolo in rivista Vai
2012 Receptor-guided 3D-QSAR approach for the discovery of c-kit tyrosine kinase inhibitors Articolo in rivista Vai
2011 Study of the role of “gatekeeper” mutations V654A and T670I of c-kit kinase in the interaction with inhibitors by means mixed molecular dynamics/docking approach Articolo in rivista Vai
2011 In vitro and in silico studies of polycondensed diazine systems as anti-infective agents Proceedings (TIPOLOGIA NON ATTIVA) Vai
2011 A3 Adenosine Receptor: homology modeling and 3D-QSAR studies Proceedings (TIPOLOGIA NON ATTIVA) Vai
2011 Virtual lock-and-key approach: The in silico revival of Fischer model by means of molecular descriptors Articolo in rivista Vai
2010 Inside c-kit tyrosine kinase: molecular modeling and QSAR in the search of new inhibitors Proceedings (TIPOLOGIA NON ATTIVA) Vai
2010 THE DISCOVERY OF NEW HIF-1 INHIBITORS THROUGH MOLECULAR MODELING STUDIES Proceedings (TIPOLOGIA NON ATTIVA) Vai
2010 TECNICHE DI MODELLISTICA MOLECOLARE NELLA PROGETTAZIONE DI INIBITORI DELL'ATTIVITÀ TRASCRIZIONALE DI HIF-1 Proceedings (TIPOLOGIA NON ATTIVA) Vai
2010 IKK-beta inhibitors: An analysis of drug–receptor interaction by using Molecular Docking and Pharmacophore 3D-QSAR approaches Articolo in rivista Vai
2010 Design of new DNA-interactive agents by molecular docking and QSPR approach Articolo in rivista Vai
2010 The discovery of new inhibitors of HIF-1 transcriptional activity by virtual screening Proceedings (TIPOLOGIA NON ATTIVA) Vai
2010 Molecular Modeling Approaches in the Discovery of New Drugs for Anti-Cancer Therapy: The Investigation of p53-MDM2 Interaction and its Inhibition by Small Molecules Articolo in rivista Vai
2010 THE PURPOSING OF NEW COMPOUNDS OR THE RE-PURPOSING OF OLD DRUGS BY MEANS OF MULTIVARIATE ANATYSIS ON MOLECULAR DESCRIPTORS Proceedings (TIPOLOGIA NON ATTIVA) Vai
2010 3D-QSAR Pharmacophore Modeling and in Silico Screening of new Bcl-xl Inhibitors Articolo in rivista Vai
2009 In-silico screening of new potential Bcl-2/Bcl-xl inhibitors as apoptosis modulators Articolo in rivista Vai
2009 Studi di dinamica molecolare su Mdm2 legata a due differenti inibitori Proceedings (TIPOLOGIA NON ATTIVA) Vai
2009 Molecular Modeling and Dynamics of the transcriptionfactor NF-kB complexed with IkB Proceedings (TIPOLOGIA NON ATTIVA) Vai
2009 Virtual lock and key approach: the revival of Fischer model Proceedings (TIPOLOGIA NON ATTIVA) Vai
2009 Computational methodologies in the discovery of inhibitors of HIV-1 Proceedings (TIPOLOGIA NON ATTIVA) Vai
2009 A QSAR study investigating the potential anti-HIV-1 effect of some Acyclovir and Ganciclovir analogs Articolo in rivista Vai
2008 MOLECULAR DYNAMICS AND DOCKING IN THE STUDY OF NEW INHIBITORS OF MDM2-p53 INTERACTION Proceedings (TIPOLOGIA NON ATTIVA) Vai
2008 DOCKING AND MULTIVARIATE METHODS TO EXPLORE HIV-1 DRUG-RESISTANCE: A COMPARATIVE ANALYSIS Articolo in rivista Vai
2008 Study on the mechanism of action of antitumor photochemotherapic agents by means of docking and QSPR analysis Proceedings (TIPOLOGIA NON ATTIVA) Vai
2008 Pharmacophore modeling e screening in silico di nuovi inibitori della proteina antiapoptotica Bcl-xl Proceedings (TIPOLOGIA NON ATTIVA) Vai
2007 Molecular modelling and QSAR in the discovery of HIV-1 integrase inhibitors Articolo in rivista Vai
2007 Bcl-2 come target di farmaci antitumorali modulatori dell'apoptosi Proceedings (TIPOLOGIA NON ATTIVA) Vai
2006 METODI CHEMIOMETRICI NELLO STUDIO DEGLI INIBITORI DI HIV-1: TECNICHE STATITICHE MULTIVARIATE E MOLECULAR DOCKING Tesi di dottorato pre 2013 Vai
2006 A Multivariate Analysis of HIV-1 Protease Inhibitors and Resistance Induced by Mutation Articolo in rivista Vai
2006 A multivariate analysis on HIV-1 protease inhibitors and resistance induced by mutation Proceedings (TIPOLOGIA NON ATTIVA) Vai
2005 QSAR and molecular docking techniques in the study of HIV-1 inhibitors Proceedings (TIPOLOGIA NON ATTIVA) Vai
2005 HIV-1 Protease Inhibitors and Resistance Induced by Mutation. Correlation between Multivariate Analysis and Molecular Docking. Proceedings (TIPOLOGIA NON ATTIVA) Vai
2005 Analisi Multivariata e Docking nello Studio degli Inibitori di HIV-1 Integrasi Proceedings (TIPOLOGIA NON ATTIVA) Vai
2005 Farmaci anti-HIV-1. Correlazioni tra analisi statistica multivariata e docking molecolare Proceedings (TIPOLOGIA NON ATTIVA) Vai
2004 A multivariate analysis on non-nucleoside HIV-1 reverse transcriptase inhibitors and resistance induced by mutation Articolo in rivista Vai
2004 Tecniche chemiometriche e di molecular modelling applicate all’analisi di Farmaci anti-HIV-1 Proceedings (TIPOLOGIA NON ATTIVA) Vai