| 2024 |
Natural products as non-covalent and covalent modulators of the KEAP1/NRF2 pathway exerting antioxidant effects |
Review essay (rassegna critica) |
Vai |
| 2024 |
INVESTIGATION ON MMACHC-R161Q PATHOLOGICAL MUTANT FROM cblC DISEASE, A RARE METABOLIC DISORDER OF VITAMIN B12 METABOLISM |
Contributo in atti di convegno pubblicato in volume |
Vai |
| 2024 |
Unveiling Novel Hybrids Quinazoline/Phenylsulfonylfuroxan Derivatives with Potent Multi-Anticancer Inhibition: DFT and In Silico Approach Combining 2D-QSAR, Molecular Docking, Dynamics Simulations, and ADMET Properties |
Articolo in rivista |
Vai |
| 2024 |
Promoting readthrough of nonsense mutations in CF mouse model: Biodistribution and efficacy of NV848 in rescuing CFTR protein expression |
Articolo in rivista |
Vai |
| 2024 |
RESCUING P53 BY NEW TRANSLATIONAL
READTHROUGH INDUCING DRUGS |
Abstract in atti di convegno pubblicato in volume |
Vai |
| 2024 |
Chaperoning system: Intriguing target to modulate the expression of CFTR in cystic fibrosis |
Review essay (rassegna critica) |
Vai |
| 2024 |
Clinical missense mutations in MMACHC gene affect its conformational stability and vitamin B12-binding activity: The example of R161Q mutation. |
Abstract in atti di convegno pubblicato in volume |
Vai |
| 2024 |
SAnDReS 2.0: Development of machine-learning models to explore the scoring function space |
Articolo in rivista |
Vai |
| 2024 |
Studying an orphan disease by a biophysical approach: The case of cblC |
Contributo in atti di convegno pubblicato in rivista |
Vai |
| 2024 |
INVESTIGATING THE NR2F2 STRUCTURE FOR DRUG REPURPOSING |
Abstract in atti di convegno pubblicato in volume |
Vai |
| 2024 |
Computational Approaches and Drug Discovery: Where Are We Going? |
Articolo in rivista |
Vai |
| 2024 |
Flavonoids and Alzheimer’s disease: reviewing the evidence for neuroprotective potential |
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 |
| 2023 |
Virtual Screening Strategy and In Vitro Tests to Identify New Inhibitors of the Immunoproteasome |
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 |
Non-covalent immunoproteasome inhibitors: virtual screening and in vitro test on β1i /β5i subunits |
Abstract in atti di convegno pubblicato in volume |
Vai |
| 2023 |
Exploring the new non-covalent immunoproteasome inhibitors of β1i /β5i subunits: Virtual screening and in vitro test |
Abstract in atti di convegno pubblicato in volume |
Vai |
| 2023 |
Fighting Antibiotic Resistance: New Pyrimidine-Clubbed Benzimidazole Derivatives as Potential DHFR Inhibitors |
Articolo in rivista |
Vai |
| 2023 |
Aminoquinolines: Fluorescent sensors to DNA – A minor groove probe. Experimental and in silico studies |
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 |
| 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 |
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 |
Sulfonamide moiety as "molecular chimera" in the design of new drugs |
Review essay (rassegna critica) |
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 |
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 |
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 |
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 |
In Silico Design, Synthesis and Biological Evaluation of Anticancer Arylsulfonamide Endowed with Anti-Telomerase Activity |
Articolo in rivista |
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 |
| 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 |
| 2021 |
Immunoproteasome and Non-Covalent Inhibition: Exploration by Advanced Molecular Dynamics and Docking Methods |
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 |
Exploring the non-covalent ligand-binding mechanism on immunoproteasome by enhanced Molecular Dynamics |
Abstract in atti di convegno pubblicato in volume |
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 |
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 |
Investigation on quantitative structure-activity relationships of 1,3,4-oxadiazole derivatives as potential telomerase inhibitors |
Articolo in rivista |
Vai |
| 2020 |
Comparing molecular dynamics-derived pharmacophore models with docking: A study on CDK-2 inhibitors |
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 |
| 2020 |
Pharmacophore-Based Design of New Chemical Scaffolds as Translational Readthrough-Inducing Drugs (TRIDs) |
Lettera |
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 |
| 2019 |
Deciphering the Nonsense Readthrough Mechanism of Action of Ataluren: An in Silico Compared Study |
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 |
Contributo in atti di convegno pubblicato in volume |
Vai |
| 2019 |
Strategies against nonsense: oxadiazoles as translational readthrough-inducing drugs (TRIDs) |
Review essay (rassegna critica) |
Vai |
| 2019 |
Predicting Skin Permeability by Means of Computational Approaches: Reliability and Caveats in Pharmaceutical Studies |
Review essay (rassegna critica) |
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 |
TOWARD ENRICHED VHTS FOR CDK2 INHIBITORS: MOLECULAR DYNAMICS, PHARMACOPHORE MODELLING, AND DOCKING |
Abstract in atti di convegno pubblicato in volume |
Vai |
| 2018 |
Reverse screening on indicaxanthin from Opuntia ficus-indica as natural chemoactive and chemopreventive agent |
Articolo in rivista |
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 |
| 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 |
| 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 Receptor α |
Articolo in rivista |
Vai |
| 2017 |
Micelles, Rods, Liposomes, and Other Supramolecular Surfactant Aggregates: Computational Approaches |
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 |
| 2017 |
Recent advances on CDK inhibitors: An insight by means of in silico methods |
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 |
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 |
| 2016 |
Design, synthesis and preliminary evaluation of dopamine-amino acid conjugates as potential D1 dopaminergic modulators |
Articolo in rivista |
Vai |
| 2016 |
Exploring the readthrough of nonsense mutations by non-acidic Ataluren analogues selected by ligand-based virtual screening |
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 |
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 |
| 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 |
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 |
A dynamic-common pharmacophore approach to improve virtual screening. A case study on PPAR-alpha |
Abstract in atti di convegno pubblicato in volume |
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 |
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 |
Studies on a new potential dopaminergic agent: in vitro BBB permeability, in vivo behavioural effects and molecular docking evaluation |
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 |
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 |
Vai |
| 2015 |
Molecular modeling studies on dopamine-amino acid conjugates as potential dopaminergic modulators |
Abstract in atti di convegno pubblicato in volume |
Vai |
| 2015 |
Evaluation of matrix effect on the GC/MS response of eighteen pesticides by multivariate approach |
Proceedings |
Vai |
| 2014 |
Identification and validation of novel molecules obtained by integrated computational and experimental approaches for the readthrough of PTCs in CF cells |
Proceedings |
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 |
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 |
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 |
Proceedings |
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 |
Vai |
| 2012 |
Molecular Modelling on Leptin and the Ob Receptor as anti-obesity target |
Proceedings |
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 |
Vai |
| 2012 |
Receptor-guided 3D-QSAR approach for the discovery
of c-kit tyrosine kinase inhibitors |
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 |
Proceedings |
Vai |
| 2012 |
Molecular Dynamics studies on Mdm2 complexes: an analysis of the inhibitor
influence |
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 |
Vai |
| 2011 |
A3 Adenosine Receptor: homology modeling and
3D-QSAR studies |
Proceedings |
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 |
Vai |
| 2010 |
TECNICHE DI MODELLISTICA MOLECOLARE NELLA PROGETTAZIONE DI INIBITORI DELL'ATTIVITÀ TRASCRIZIONALE DI HIF-1 |
Proceedings |
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 discovery of new inhibitors of HIF-1 transcriptional activity by virtual screening |
Proceedings |
Vai |
| 2010 |
3D-QSAR Pharmacophore Modeling and in Silico Screening of new Bcl-xl Inhibitors |
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 |
Design of new DNA-interactive agents
by molecular docking and QSPR approach |
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 |
Vai |
| 2010 |
THE DISCOVERY OF NEW HIF-1 INHIBITORS THROUGH
MOLECULAR MODELING STUDIES |
Proceedings |
Vai |
| 2009 |
Molecular Modeling and Dynamics of the transcriptionfactor NF-kB complexed with IkB |
Proceedings |
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 |
Vai |
| 2009 |
Virtual lock and key approach: the revival of Fischer model |
Proceedings |
Vai |
| 2009 |
Computational methodologies in the discovery of inhibitors of HIV-1 |
Proceedings |
Vai |
| 2009 |
A QSAR study investigating the potential anti-HIV-1 effect of some Acyclovir and Ganciclovir analogs |
Articolo in rivista |
Vai |
| 2008 |
Pharmacophore modeling e screening in silico di nuovi inibitori della proteina antiapoptotica Bcl-xl |
Proceedings |
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 |
Vai |
| 2008 |
MOLECULAR DYNAMICS AND DOCKING IN THE STUDY OF NEW INHIBITORS OF MDM2-p53 INTERACTION |
Proceedings |
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 |
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 |
Vai |
| 2006 |
METODI CHEMIOMETRICI NELLO STUDIO DEGLI INIBITORI DI HIV-1:
TECNICHE STATITICHE MULTIVARIATE E MOLECULAR DOCKING |
Tesi di dottorato pre 2013 |
Vai |
| 2005 |
QSAR and molecular docking techniques in the study of HIV-1 inhibitors |
Proceedings |
Vai |
| 2005 |
HIV-1 Protease Inhibitors and Resistance Induced by Mutation. Correlation between Multivariate Analysis and Molecular Docking. |
Proceedings |
Vai |
| 2005 |
Analisi Multivariata e Docking nello Studio degli Inibitori di HIV-1 Integrasi |
Proceedings |
Vai |
| 2005 |
Farmaci anti-HIV-1. Correlazioni tra analisi statistica multivariata e docking molecolare |
Proceedings |
Vai |
| 2004 |
Tecniche chemiometriche e di molecular modelling applicate all’analisi di Farmaci anti-HIV-1 |
Proceedings |
Vai |
| 2004 |
A multivariate analysis on non-nucleoside HIV-1 reverse transcriptase inhibitors and resistance induced by mutation |
Articolo in rivista |
Vai |
