| 2024 |
Novel half Salphen cobalt(III) complexes: synthesis, DNA binding and anticancer studies |
Articolo in rivista |
Vai |
| 2024 |
Metal centers and aromatic moieties in Schiff base complexes: impact on G-quadruplex stabilization and oncogene downregulation |
Articolo in rivista |
Vai |
| 2023 |
Predicting the Three-Dimensional Structure of the c-KIT Proto-Oncogene Promoter and the Dynamics of Its Strongly Coupled Guanine Quadruplexes |
Articolo in rivista |
Vai |
| 2023 |
Cancer-Related Mutations Alter RNA-Driven Functional Cross-Talk Underlying Premature-Messenger RNA Recognition by Splicing Factor SF3b |
Articolo in rivista |
Vai |
| 2023 |
How the Metal Ion Affects the 1H NMR Chemical Shift Values of Schiff Base Metal Complexes: Rationalization by DFT Calculations |
Articolo in rivista |
Vai |
| 2023 |
The avidin-theophylline complex: A structural and computational study |
Articolo in rivista |
Vai |
| 2023 |
Switching from Aromatase Inhibitors to Dual Targeting Flavonoid-Based Compounds for Breast Cancer Treatment |
Articolo in rivista |
Vai |
| 2023 |
Mechanism of the Covalent Inhibition of Human Transmembrane Protease Serine 2 as an Original Antiviral Strategy |
Articolo in rivista |
Vai |
| 2022 |
Role of computational and structural biology in the development of small-molecule modulators of the spliceosome |
Review essay (rassegna critica) |
Vai |
| 2022 |
Anticancer Activity, Reduction Mechanism and G-Quadruplex DNA Binding of a Redox-Activated Platinum(IV)–Salphen Complex |
Articolo in rivista |
Vai |
| 2022 |
Single-digit nanomolar inhibitors lock the aromatase active site via a dualsteric targeting strategy |
Articolo in rivista |
Vai |
| 2022 |
A Novel Peptide with Antifungal Activity from Red Swamp Crayfish Procambarus clarkii |
Articolo in rivista |
Vai |
| 2021 |
All-atom simulations to studying metallodrugs/target interactions |
Articolo in rivista |
Vai |
| 2021 |
Molecular Mechanisms of the Blockage of Glioblastoma Motility |
Articolo in rivista |
Vai |
| 2021 |
Balanced dual acting compounds targeting aromatase and estrogen receptor α as an emerging therapeutic opportunity to counteract estrogen responsive breast cancer |
Articolo in rivista |
Vai |
| 2021 |
Allosteric Cross-Talk among Spike’s Receptor-Binding Domain Mutations of the SARS-CoV-2 South African Variant Triggers an Effective Hijacking of Human Cell Receptor |
Articolo in rivista |
Vai |
| 2021 |
Computing Metal-Binding Proteins for Therapeutic Benefit |
Articolo in rivista |
Vai |
| 2021 |
Frontiers of metal-coordinating drug design |
Articolo in rivista |
Vai |
| 2021 |
Molecular Basis of SARS-CoV-2 Nsp1-Induced Immune Translational Shutdown as Revealed by All-Atom Simulations |
Articolo in rivista |
Vai |
| 2021 |
Investigating the molecular mechanism of h3b‐8800: A splicing modulator inducing preferential lethality in spliceosome‐mutant cancers |
Articolo in rivista |
Vai |
| 2020 |
Is the Rigidity of SARS-CoV-2 Spike Receptor-Binding Motif the Hallmark for Its Enhanced Infectivity? Insights from All-Atom Simulations |
Articolo in rivista |
Vai |
| 2020 |
All-Atom simulations disclose how cytochrome reductase reshapes the substrate access/egress routes of its partner cyp450s |
Articolo in rivista |
Vai |
| 2020 |
Targeting Orthosteric and Allosteric Pockets of Aromatase via Dual-Mode Novel Azole Inhibitors |
Articolo in rivista |
Vai |
| 2020 |
Molecular basis for endocrine disruption by pesticides targeting aromatase and estrogen receptor |
Articolo in rivista |
Vai |
| 2019 |
Post-Translational Regulation of CYP450s Metabolism As Revealed by All-Atoms Simulations of the Aromatase Enzyme |
Articolo in rivista |
Vai |
| 2019 |
The catalytic mechanism of steroidogenic cytochromes P450 from all-atom simulations: Entwinement with membrane environment, redox partners, and post-transcriptional regulation |
Articolo in rivista |
Vai |
| 2019 |
Structural, Thermodynamic, and Kinetic Traits of Antiestrogen-Compounds Selectively Targeting the Y537S Mutant Estrogen Receptor α Transcriptional Activity in Breast Cancer Cell Lines |
Articolo in rivista |
Vai |
| 2019 |
Recent advances in computational design of potent aromatase inhibitors: open-eye on endocrine-resistant breast cancers |
Articolo in rivista |
Vai |
| 2019 |
Rational design of allosteric modulators of the aromatase enzyme: An unprecedented therapeutic strategy to fight breast cancer |
Articolo in rivista |
Vai |
| 2019 |
Can multiscale simulations unravel the function of metallo-enzymes to improve knowledge-based drug discovery? |
Articolo in rivista |
Vai |
| 2019 |
Exploiting Cryo-EM Structural Information and All-Atom Simulations to Decrypt the Molecular Mechanism of Splicing Modulators |
Articolo in rivista |
Vai |
| 2019 |
Targeting G-quadruplexes with organic dyes: Chelerythrine–DNA binding elucidated by combining molecular modeling and optical spectroscopy |
Articolo in rivista |
Vai |
| 2019 |
A Synthetic Derivative of Antimicrobial Peptide Holothuroidin 2 from Mediterranean Sea Cucumber (Holothuria tubulosa) in the Control of Listeria monocytogenes |
Articolo in rivista |
Vai |
| 2018 |
All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome |
Articolo in rivista |
Vai |
| 2018 |
How Can Interleukin-1 Receptor Antagonist Modulate Distinct Cell Death Pathways? |
Articolo in rivista |
Vai |
| 2018 |
The interaction of Schiff Base complexes of nickel(II) and zinc(II) with duplex and G-quadruplex DNA |
Articolo in rivista |
Vai |
| 2018 |
Antimicrobial and Antibiofilm Activity of a Recombinant Fragment of β-Thymosin of Sea Urchin Paracentrotus lividus |
Articolo in rivista |
Vai |
| 2018 |
A Dehydrogenase Dual Hydrogen Abstraction Mechanism Promotes Estrogen Biosynthesis: Can We Expand the Functional Annotation of the Aromatase Enzyme? |
Articolo in rivista |
Vai |
| 2018 |
A Computational Assay of Estrogen Receptor α Antagonists Reveals the Key Common Structural Traits of Drugs Effectively Fighting Refractory Breast Cancers |
Articolo in rivista |
Vai |
| 2017 |
An omics perspective to the molecular mechanisms of anticancer metallo-drugs in the computational microscope era |
Articolo in rivista |
Vai |
| 2016 |
Metal ions and metal complexes in Alzheimer’s disease |
Review essay (rassegna critica) |
Vai |
| 2016 |
A peptide from human β thymosin as a platform for the development of new anti-biofilm agents for Staphylococcus spp. and Pseudomonas aeruginosa |
Articolo in rivista |
Vai |
| 2016 |
Molecular recognition of naphthalene diimide ligands by telomeric quadruplex-DNA: The importance of the protonation state and mediated hydrogen bonds |
Articolo in rivista |
Vai |
| 2016 |
Circular Dichroism of DNA G-Quadruplexes: Combining Modeling and Spectroscopy to Unravel Complex Structures |
Articolo in rivista |
Vai |
| 2016 |
The inhibition of glycerol permeation through aquaglyceroporin-3 induced by mercury(II): A molecular dynamics study |
Articolo in rivista |
Vai |
| 2016 |
G-quadruplex vs. duplex-DNA binding of nickel(II) and zinc(II) Schiff base complexes |
Articolo in rivista |
Vai |
| 2016 |
DNA-Binding and Anticancer Activity of Pyrene-Imidazolium Derivatives |
Articolo in rivista |
Vai |
| 2016 |
The Binding Mechanism of Epolactaene to Hsp60 Unveiled by in Silico Modelling |
Articolo in rivista |
Vai |
| 2015 |
Ni(II) and Zn(II) Schiff Base complexes: B-DNA vs G4-DNA binding |
Abstract in atti di convegno pubblicato in volume |
Vai |
| 2015 |
Enhancement of premature stop codon readthrough in the CFTR gene by Ataluren (PTC124) derivatives |
Articolo in rivista |
Vai |
| 2015 |
Quaternary structures of GroEL and naïve-Hsp60 chaperonins in solution: A combined SAXS-MD study |
Articolo in rivista |
Vai |
| 2014 |
Selective G-Quadruplex Stabilizers: Schiff-base Metal Complexes with Anticancer Activity |
Articolo in rivista |
Vai |
| 2014 |
Toward a Rationale for the PTC124 (Ataluren) Promoted Readthrough of Premature Stop Codons: A Computational Approach and GFP-Reporter Cell-Based Assay |
Articolo in rivista |
Vai |
| 2014 |
The Interaction of Small Molecules with Biomolecules |
Proceedings |
Vai |
| 2014 |
The Right Answer for the Right Electrostatics: Force Field Methods Are Able to Describe Relative Energies of DNA Guanine Quadruplexes |
Articolo in rivista |
Vai |
| 2014 |
NiII, and ZnII Schiff Base Complexes: Telomeric G-quadruplex Stabilizers |
Proceedings |
Vai |
| 2014 |
Nickel(II), copper(II) and zinc(II) metallo-intercalators: structural details of the DNA-binding by a combined experimental and computational investigation |
Articolo in rivista |
Vai |
| 2014 |
Paracentrin 1, a synthetic antimicrobial peptide from the sea-urchin Paracentrotus lividus, interferes with staphylococcal and Pseudomonas aeruginosa biofilm formation |
Articolo in rivista |
Vai |
| 2014 |
A Theoretical and Experimental Investigation of the Spectroscopic Properties of a DNA-Intercalator Salphen-Type ZnIIComplex |
Articolo in rivista |
Vai |
| 2014 |
DNA-Binding of NiII, CuII and ZnII Complexes of Salen Derivatives |
Proceedings |
Vai |
| 2014 |
G4-DNA vs. B-DNA binding of Schiff base transition metal complexes |
Proceedings |
Vai |
| 2013 |
Metal Complex–DNA Binding: Insights from Molecular Dynamics and DFT/MM Calculations |
Articolo in rivista |
Vai |
| 2012 |
The interaction of DNA with metal complexes: computational investigations |
Proceedings |
Vai |
| 2012 |
(Dipyrido[3,2-a:2',3'-c]phenazine)(glycinato)copper(II) perchlorate: A novel DNA-intercalator with anti-proliferative activity against thyroid cancer cell lines |
Articolo in rivista |
Vai |
| 2011 |
The interaction of DNA with metal complexes: experimental and computational studies |
Proceedings |
Vai |
