Skip to main content
Passa alla visualizzazione normale.


Pari opportunità

ANGELO SPINELLO

Publications

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