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MARCO TUTONE

Pubblicazioni

Data Titolo Tipologia Scheda
2024 Computational Approaches and Drug Discovery: Where Are We Going? Articolo in rivista Vai
2023 Treatment of Complex Regional Pain Syndrome (Crps): New Perspectives in the Use of Sulfonamides as Modulators of P2x Receptors Review essay (rassegna critica) Vai
2023 Aminoquinolines: Fluorescent sensors to DNA – A minor groove probe. Experimental and in silico studies Articolo in rivista Vai
2023 Fighting Antibiotic Resistance: New Pyrimidine-Clubbed Benzimidazole Derivatives as Potential DHFR Inhibitors Articolo in rivista Vai
2023 Investigating the inhibition of FTSJ1 a tryptophan tRNA-specific 2’-O-methyltransferase by NV TRIDs, as a mechanism of readthrough in nonsense mutated CFTR Articolo in rivista Vai
2023 Virtual Screening Strategy and In Vitro Tests to Identify New Inhibitors of the Immunoproteasome Articolo in rivista Vai
2023 Readthrough Approach Using NV Translational Readthrough-Inducing Drugs (TRIDs): A Study of the Possible Off-Target Effects on Natural Termination Codons (NTCs) on TP53 and Housekeeping Gene Expression Articolo in rivista Vai
2022 P015 Translational readthrough inducing drugs: a study of toxicity in mice models and in vitro safety validation of the specific readthrough process. Contributo in atti di convegno pubblicato in rivista Vai
2022 Deciphering the Potential of Pre and Pro-Vitamin D of Mushrooms against Mpro and PLpro Proteases of COVID-19: An In Silico Approach Articolo in rivista Vai
2022 Synthesis, In Vitro and In Silico Analysis of New Oleanolic Acid and Lupeol Derivatives against Leukemia Cell Lines: Involvement of the NF-κB Pathway Articolo in rivista Vai
2022 Nonsense codons suppression. An acute toxicity study of three optimized TRIDs in murine model, safety and tolerability evaluation Articolo in rivista Vai
2022 Readthrough Inducing Drugs (TRIDs) in human fibroblasts harboring the c.5047 C>T (R1683*) nonsense mutation Abstract in atti di convegno pubblicato in volume Vai
2022 Inhibition of FTSJ1, a tryptophan tRNA-specific 2’-O-methyltransferase as possible mechanism to readthrough premature termination codons (UGAs) of the CFTR mRNA Abstract in atti di convegno pubblicato in volume Vai
2022 Redox Properties, Bioactivity and Health Effects of Indicaxanthin, a Bioavailable Phytochemical from Opuntia ficus indica, L.: A Critical Review of Accumulated Evidence and Perspectives Review essay (rassegna critica) Vai
2022 Sulfonamide moiety as "molecular chimera" in the design of new drugs Review essay (rassegna critica) Vai
2022 Phytol and Heptacosane Are Possible Tools to Overcome Multidrug Resistance in an In Vitro Model of Acute Myeloid Leukemia Articolo in rivista Vai
2022 In Silico Design, Synthesis and Biological Evaluation of Anticancer Arylsulfonamide Endowed with Anti-Telomerase Activity Articolo in rivista Vai
2021 Evaluation of the IKKβ Binding of Indicaxanthin by Induced-Fit Docking, Binding Pose Metadynamics, and Molecular Dynamics Articolo in rivista Vai
2021 Immunoproteasome and Non-Covalent Inhibition: Exploration by Advanced Molecular Dynamics and Docking Methods Articolo in rivista Vai
2021 Exploring the non-covalent ligand-binding mechanism on immunoproteasome by enhanced Molecular Dynamics Abstract in atti di convegno pubblicato in volume Vai
2021 In Vitro Modulation of P-Glycoprotein Activity by Euphorbia intisy Essential Oil on Acute Myeloid Leukemia Cell Line HL-60R Articolo in rivista Vai
2021 Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics Articolo in rivista Vai
2021 Preface to "Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics" Prefazione/Postfazione Vai
2020 A definitive pharmacophore modelling study on CDK2 ATP pocket binders: Tracing the path of new virtual high-throughput screenings Articolo in rivista Vai
2020 Pharmacophore-Based Design of New Chemical Scaffolds as Translational Readthrough-Inducing Drugs (TRIDs) Articolo in rivista Vai
2020 Investigation on quantitative structure-activity relationships of 1,3,4-oxadiazole derivatives as potential telomerase inhibitors Articolo in rivista Vai
2020 Exploring the SARS-CoV-2 proteome in the search of potential inhibitors via structure-based pharmacophore modeling/docking approach Articolo in rivista Vai
2020 Comparing molecular dynamics-derived pharmacophore models with docking: A study on CDK-2 inhibitors Articolo in rivista Vai
2020 Targeting nonsense: Optimization of 1,2,4-oxadiazole trids to rescue cftr expression and functionality in cystic fibrosis cell model systems Articolo in rivista Vai
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) Review essay (rassegna critica) Vai
2019 TOWARD ENRICHED VHTS FOR CDK2 INHIBITORS: MOLECULAR DYNAMICS, PHARMACOPHORE MODELLING, AND DOCKING Abstract in atti di convegno pubblicato in volume Vai
2019 Predicting Skin Permeability by Means of Computational Approaches: Reliability and Caveats in Pharmaceutical Studies Review essay (rassegna critica) Vai
2019 Uno studio comparativo in silico sui possibili target di Ataluren e analoghi farmaci promotori di readthrough di codoni di stop prematuri Contributo in atti di convegno pubblicato in volume 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
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 Consensus modelling and molecular dynamics studies for the identification of novel telomerase inhibitors as anti-cancer agents Poster pubblicato in volume Vai
2018 Rescuing the CFTR protein function: Introducing 1,3,4-oxadiazoles as translational readthrough inducing drugs Articolo in rivista Vai
2018 OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF GENETIC DISEASES DUE TO NONSENSE MUTATIONS Brevetto Vai
2017 A Molecular Dynamics-Shared Pharmacophore Approach to Boost Early-Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator-Activated Receptor α Articolo in rivista Vai
2017 Micelles, Rods, Liposomes, and Other Supramolecular Surfactant Aggregates: Computational Approaches Articolo in rivista 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 The Molecular dYnamics SHAred PharmacophorE (MYSHAPE) approacha new tool to arise docking and pharmacophore modeling performance: virtues and vices Poster pubblicato in volume Vai
2017 Conf-VLKA: A structure-based revisitation of the Virtual Lock-and-key Approach Articolo in rivista Vai
2017 Recent advances on CDK inhibitors: An insight by means of in silico methods Articolo in rivista Vai
2017 Optimization of a new lead promoting the readthrough of the nonsense mutations for CFTR rescue in human CF cells Poster pubblicato in volume 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 Identification and validation of novel molecules obtained by integrated computational and experimental approaches for the read-through of PTCs in CF cells Abstract in rivista Vai
2016 A dynamic multiple receptor conformations (MD-MRC) approach to enhance early enrichment in virtual screening. A case study on PPAR-alpha Abstract in atti di convegno pubblicato in volume Vai
2016 A dynamic-common pharmacophore approach to improve virtual screening. A case study on PPAR-alpha Abstract in atti di convegno pubblicato in volume Vai
2016 MOLECULAR DYNAMICS - MULTIPLE RECEPTOR CONFORMATIONS APPROACH TO ENHANCE STRUCTURE-BASED VIRTUAL SCREENING ON PPAR-alpha RECEPTOR Abstract in atti di convegno pubblicato in volume Vai
2016 Novel molecules for the readthrough of PTCs in biological model systems and in cystic fibrosis cells Abstract in atti di convegno pubblicato in volume 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
2015 Evaluation of matrix effect on the GC/MS response of eighteen pesticides by multivariate approach eedings 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 eedings Vai
2015 Identification and validation of novel molecules obtained by integrated computational and experimental approaches for the read-through of PTCs in CF cells. eedings 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 Molecular modeling studies on dopamine-amino acid conjugates as potential dopaminergic modulators Abstract in atti di convegno pubblicato in volume 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 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 Molecular modelling studies on dopamine-amino acid conjugates as potential dopaminergic modulators eedings Vai
2014 Identification and validation of novel molecules obtained by integrated computational and experimental approaches for the readthrough of PTCs in CF cells eedings Vai
2014 DA-Phen, a new dopamine aminoacid conjugate: in vivo testing and molecular modeling as dopaminergic modulator eedings 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
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 Multivariate analysis in the identification of biological targets for designed molecular structures: The BIOTA protocol 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 eedings Vai
2013 A3 adenosine receptor: Homology modeling and 3D-QSAR studies Articolo in rivista 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 eedings Vai
2012 IN THE SEARCH OF LEPTIN AGONISTS AS ANTI-OBESITY DRUGS: PROTEIN/PROTEIN DOCKING, MOLECULAR DYNAMICS, AND VIRTUAL SCREENING eedings Vai
2012 Molecular Dynamics studies on Mdm2 complexes: an analysis of the inhibitor influence Articolo in rivista Vai
2012 Pharmacophore modelling as useful tool in the lead compounds identification and optimization eedings Vai
2012 In vitro and in silico studies of polycondensed diazine systems as anti-parasitic agents Articolo in rivista Vai
2012 Molecular Modelling on Leptin and the Ob Receptor as anti-obesity target eedings Vai
2012 Receptor-guided 3D-QSAR approach for the discovery of c-kit tyrosine kinase inhibitors Articolo in rivista Vai
2011 In vitro and in silico studies of polycondensed diazine systems as anti-infective agents eedings Vai
2011 Virtual lock-and-key approach: The in silico revival of Fischer model by means of molecular descriptors Articolo in rivista Vai
2011 A3 Adenosine Receptor: homology modeling and 3D-QSAR studies eedings 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
2010 The discovery of new inhibitors of HIF-1 transcriptional activity by virtual screening eedings 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 TECNICHE DI MODELLISTICA MOLECOLARE NELLA PROGETTAZIONE DI INIBITORI DELL'ATTIVITÀ TRASCRIZIONALE DI HIF-1 eedings Vai
2010 Inside c-kit tyrosine kinase: molecular modeling and QSAR in the search of new inhibitors eedings Vai
2010 3D-QSAR Pharmacophore Modeling and in Silico Screening of new Bcl-xl Inhibitors 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 eedings Vai
2010 Design of new DNA-interactive agents by molecular docking and QSPR approach Articolo in rivista 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 THE DISCOVERY OF NEW HIF-1 INHIBITORS THROUGH MOLECULAR MODELING STUDIES eedings Vai
2009 A QSAR study investigating the potential anti-HIV-1 effect of some Acyclovir and Ganciclovir analogs Articolo in rivista Vai
2009 Molecular Modeling and Dynamics of the transcriptionfactor NF-kB complexed with IkB eedings 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 eedings Vai
2009 Virtual lock and key approach: the revival of Fischer model eedings Vai
2009 Computational methodologies in the discovery of inhibitors of HIV-1 eedings Vai
2008 DOCKING AND MULTIVARIATE METHODS TO EXPLORE HIV-1 DRUG-RESISTANCE: A COMPARATIVE ANALYSIS Articolo in rivista Vai
2008 Pharmacophore modeling e screening in silico di nuovi inibitori della proteina antiapoptotica Bcl-xl eedings Vai
2008 Study on the mechanism of action of antitumor photochemotherapic agents by means of docking and QSPR analysis eedings Vai
2008 MOLECULAR DYNAMICS AND DOCKING IN THE STUDY OF NEW INHIBITORS OF MDM2-p53 INTERACTION eedings 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 eedings Vai
2006 A multivariate analysis on HIV-1 protease inhibitors and resistance induced by mutation eedings 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
2005 HIV-1 Protease Inhibitors and Resistance Induced by Mutation. Correlation between Multivariate Analysis and Molecular Docking. eedings Vai
2005 Analisi Multivariata e Docking nello Studio degli Inibitori di HIV-1 Integrasi eedings Vai
2005 QSAR and molecular docking techniques in the study of HIV-1 inhibitors eedings Vai
2005 Farmaci anti-HIV-1. Correlazioni tra analisi statistica multivariata e docking molecolare eedings Vai
2004 Tecniche chemiometriche e di molecular modelling applicate all’analisi di Farmaci anti-HIV-1 eedings Vai
2004 A multivariate analysis on non-nucleoside HIV-1 reverse transcriptase inhibitors and resistance induced by mutation Articolo in rivista Vai