List of works - Leonardo Scapozza

A Coincidence Detection Mechanism Controls PX-BAR Domain-Mediated Endocytic Membrane Remodeling via an Allosteric Structural Switch.

scientific article published in November 2017

A high yield optimized method for the production of acylated ACPs enabling the analysis of enzymes involved in P. falciparum fatty acid biosynthesis

scientific article published on 6 October 2016

A molecular dynamics study of reovirus attachment protein sigma1 reveals conformational changes in sigma1 structure

scientific article published on June 2004

A new N-methyl thymine derivative comprising a dihydroxyisobutenyl unit as ligand for thymidine kinase of herpes simplex virus type 1 (HSV-1 TK).

scientific article published on 6 August 2011

A subset of N-substituted phenothiazines inhibits NADPH oxidases

scientific article published on 22 May 2015

Adenosine Kinase of T. b. Rhodesiense identified as the putative target of 4-[5-(4-phenoxyphenyl)-2H-pyrazol-3-yl]morpholine using chemical proteomics

scientific article

Adrenergic antagonists restrict replication of Legionella

scientific article

Amoebae-Based Screening Reveals a Novel Family of Compounds Restricting Intracellular Legionella pneumophila

scientific article

An enzyme-linked immunosorbent assay to screen for inhibitors of the oncogenic anaplastic lymphoma kinase.

scientific article published in July 2005

Analysis of the cross-reactivity and of the 1.5 A crystal structure of the Malassezia sympodialis Mala s 6 allergen, a member of the cyclophilin pan-allergen family

scientific article

Antimycobacterial drug discovery using Mycobacteria-infected amoebae identifies anti-infectives and new molecular targets.

scientific article published on 2 March 2018

Autoregulation of Class II Alpha PI3K Activity by Its Lipid-Binding PX-C2 Domain Module

scientific article published on 01 July 2018

Backbone assignment of the tyrosine kinase Src catalytic domain in complex with imatinib

scientific article published on 27 April 2011

Biochemical and structural characterization of (South)-methanocarbathymidine that specifically inhibits growth of herpes simplex virus type 1 thymidine kinase-transduced osteosarcoma cells

scientific article

Breaking the aggregation of the monoclonal antibody bevacizumab (avastin®) by dexamethasone phosphate: insights from molecular modelling and asymmetrical flow field-flow fractionation

scientific article published on 15 February 2013

C-5 hydroxyethyl and hydroxypropyl acyclonucleosides as substrates for thymidine kinase of herpes simplex virus type 1 (HSV-1 TK): syntheses and biological evaluation.

scientific article published on 2 May 2013

Caloric restriction induces energy-sparing alterations in skeletal muscle contraction, fiber composition and local thyroid hormone metabolism that persist during catch-up fat upon refeeding

scientific article

Calpain-mediated cleavage of Atg5 switches autophagy to apoptosis.

scientific article

Caspase-8 is activated by cathepsin D initiating neutrophil apoptosis during the resolution of inflammation

scientific article published on 25 February 2008

Characterization of compound 584, an Abl kinase inhibitor with lasting effects

scientific article

Characterization of some molecular mechanisms governing autoactivation of the catalytic domain of the anaplastic lymphoma kinase.

scientific article published on 10 December 2007

Chemoenzymatic Synthesis of Original Stilbene Dimers Possessing Wnt Inhibition Activity in Triple-Negative Breast Cancer Cells Using the Enzymatic Secretome of Botrytis cinerea Pers.

scientific article published on 19 April 2022

ClickMD: an intuitive web-oriented molecular dynamics platform

scientific article

Comparison of the crystal structures of the human manganese superoxide dismutase and the homologous Aspergillus fumigatus allergen at 2-A resolution

scientific article

Cooperative binding of the tandem WW domains of PLEKHA7 to PDZD11 promotes conformation-dependent interaction with tetraspanin 33

scientific article published on 05 May 2020

Crizotinib-resistant NPM-ALK mutants confer differential sensitivity to unrelated Alk inhibitors

scientific article published on 13 December 2012

Cross-reactivity and 1.4-A crystal structure of Malassezia sympodialis thioredoxin (Mala s 13), a member of a new pan-allergen family

scientific article

Crystal Structures of T. b. rhodesiense Adenosine Kinase Complexed with Inhibitor and Activator: Implications for Catalysis and Hyperactivation

scientific article

Density functional studies on herpes simplex virus type 1 thymidine kinase–substrate interactions: The role of Tyr-172 and Met-128 in thymine fixation ⬇️

scientific article published on June 1, 1998

Design and purification of active truncated phosphoinositide 3-kinase gamma protein constructs for structural studies.

scientific article published on 22 April 2017

Design, synthesis, and biological activity of urea derivatives as anaplastic lymphoma kinase inhibitors.

scientific article

Design, synthesis, and biological and crystallographic evaluation of novel inhibitors of Plasmodium falciparum enoyl-ACP-reductase (PfFabI)

scientific article

Development and validation of a capillary electrophoresis method for the characterization of herpes simplex virus type 1 (HSV-1) thymidine kinase substrates and inhibitors

scientific article published on 4 October 2006

Development of a three-dimensional model for the N-methyl-D-aspartate NR2A subunit

scientific article published in August 2005

Diapocynin, a dimer of the NADPH oxidase inhibitor apocynin, reduces ROS production and prevents force loss in eccentrically contracting dystrophic muscle

scientific article

Differences between in vivo and in vitro sensitivity to imatinib of Bcr/Abl+ cells obtained from leukemic patients.

scientific article published in May 2002

Differences in Conformational Dynamics between Plasmodium falciparum and Human Hsp90 Orthologues Enable the Structure-Based Discovery of Pathogen-Selective Inhibitors

article

Drug repurposing in oncology: Compounds, pathways, phenotypes and computational approaches for colorectal cancer

scholarly article by Patrycja Nowak-Sliwinska et al published 1 April 2019 in Biochimica et Biophysica Acta: Reviews on Cancer

Efficacy study of two novel hyaluronic acid-based formulations for viscosupplementation therapy in an early osteoarthrosic rabbit model.

scientific article published on 11 September 2015

Establishment and validation of whole-cell based fluorescence assays to identify anti-mycobacterial compounds using the Acanthamoeba castellanii-Mycobacterium marinum host-pathogen system

scientific article (publication date: 2014)

Exploring the Ubiquitin-Proteasome System (UPS) through PROTAC Technology

scientific article published on 01 April 2020

Expression, purification and biochemical characterization of recombinant Ca-dependent protein kinase 2 of the malaria parasite Plasmodium falciparum

scientific article

Folding and self-assembly of herpes simplex virus type 1 thymidine kinase ⬇️

scientific article published on October 26, 2001

From compound to target: chemical proteomics and in silico screening identify Hsp90 and CDPK2 as putative targets in Plasmodium falciparum.

scientific article published on 15 October 2012

High-level expression and purification of human thymidine kinase 1: quaternary structure, stability, and kinetics

scientific article published on 30 January 2006

Homology modeling and dynamics of the extracellular domain of rat and human neuronal nicotinic acetylcholine receptor subtypes alpha4beta2 and alpha7.

scientific article published on 8 July 2008

Homology modelling and docking studies on Varicella Zoster Virus Thymidine kinase

scientific article published in April 2003

How 'Protein-Docking' Translates into the New Emerging Field of Docking Small Molecules to Nucleic Acids?

scientific article published on 13 June 2020

Identification of Anti-Mycobacterium and Anti-Legionella Compounds With Potential Distinctive Structural Scaffolds From an HD-PBL Using Phenotypic Screens in Amoebae Host Models

scientific article published on 21 February 2020

Immunological and structural analysis of IgE-mediated cross-reactivity between manganese superoxide dismutases.

scientific article

In Silico Driven Design and Synthesis of Rhodanine Derivatives as Novel Antibacterials Targeting the Enoyl Reductase InhA.

scientific article published on 5 January 2016

In vitro and in vivo activity of SKI-606, a novel Src-Abl inhibitor, against imatinib-resistant Bcr-Abl+ neoplastic cells

scientific article

Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids

scientific article

Inhibition of RET tyrosine kinase by SU5416.

scientific article published on October 2006

Inhibitors of Mycobacterium marinum virulence identified in a Dictyostelium discoideum host model

scientific article published on 20 July 2017

Ligand selectivity for the acetylcholine binding site of the rat alpha4beta2 and alpha3beta4 nicotinic subtypes investigated by molecular docking.

scientific article

Methodology and problems of protein-ligand docking: case study of dihydroorotate dehydrogenase, thymidine kinase, and phosphodiesterase 4.

scientific article

Modeling and resistant alleles explain the selectivity of antimalarial compound 49c towards apicomplexan aspartyl proteases

scientific article published on 8 March 2018

Molecular Dynamics Simulation of MHC-Peptide Complexes as a Tool for Predicting Potential T Cell Epitopes ⬇️

scientific article published on September 27, 1994

Molecular mechanisms of resistance to imatinib in Philadelphia-chromosome-positive leukaemias.

scientific article

NADPH oxidase (NOX) isoforms are inhibited by celastrol with a dual mode of action

scientific article

NPM/ALK mutants resistant to ASP3026 display variable sensitivity to alternative ALK inhibitors but succumb to the novel compound PF-06463922

scientific article

Naphthoquinone derivatives exert their antitrypanosomal activity via a multi-target mechanism

scientific article

Platelet Transforming Growth Factor-β1 Induces Liver Sinusoidal Endothelial Cells to Secrete Interleukin-6

scientific article published on 25 May 2020

Purine metabolite and energy charge analysis of Trypanosoma brucei cells in different growth phases using an optimized ion-pair RP-HPLC/UV for the quantification of adenine and guanine pools

scientific article published on 19 March 2014

RET kinase inhibitors: a review of recent patents (2012-2015).

scientific article published on 20 September 2016

RNA interference screening identifies a novel role for PCTK1/CDK16 in medulloblastoma with c-Myc amplification

scientific article

RNA pentaloop structures as effective targets of regulators belonging to the RsmA/CsrA protein family

scientific article

Recombinant expression and biochemical characterization of the unique elongating beta-ketoacyl-acyl carrier protein synthase involved in fatty acid biosynthesis of Plasmodium falciparum using natural and artificial substrates.

scientific article published on 8 February 2006

Repurposing the Selective Oestrogen Receptor Modulator Tamoxifen for the Treatment of Duchenne Muscular Dystrophy

scientific article published on 01 April 2018

Single-molecule pulling simulations can discern active from inactive enzyme inhibitors

scientific article published on June 2010

Small-molecule NOX inhibitors: ROS-generating NADPH oxidases as therapeutic targets

scientific article published on October 2009

Structural Insights into the ATP Binding Pocket of the Anaplastic Lymphoma Kinase by Site-Directed Mutagenesis, Inhibitor Binding Analysis, and Homology Modeling

article

Structure of a type II thymidine kinase with bound dTTP

scientific journal article

Synthesis and biological evaluation of 5-substituted derivatives of the potent antiherpes agent (north)-methanocarbathymine

scientific article published on November 2003

Synthesis and biological evaluation of benzo[4,5]imidazo[1,2-c]pyrimidine and benzo[4,5]imidazo[1,2-a]pyrazine derivatives as anaplastic lymphoma kinase inhibitors

scientific article published on 10 January 2014

Synthesis and biological evaluation of iodinated and fluorinated 9-(2-hydroxypropyl) and 9-(2-hydroxyethoxy)methyl purine nucleoside analogues

scientific article published on December 2003

Synthesis and characterization of a C6 nucleoside analogue for the in vivo imaging of the gene expression of herpes simplex virus type-1 thymidine kinase (HSV1 TK).

scientific article published on March 2006

Synthesis and evaluation of antiparasitic activities of new 4-[5-(4-phenoxyphenyl)-2H-pyrazol-3-yl]morpholine derivatives

scientific article published on 20 October 2007

Synthesis of 3-azabicyclo[3.2.2]nonanes and their antiprotozoal activities

scientific article

Synthesis, 18F-radiolabelling and biological evaluations of C-6 alkylated pyrimidine nucleoside analogues

scientific article published in January 2004

Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo

scientific article

Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors

scientific article

Tamoxifen prolongs survival and alleviates symptoms in mice with fatal X-linked myotubular myopathy

scientific article published in Nature Communications

Targeted cutaneous delivery of ciclosporin A using micellar nanocarriers and the possible role of inter-cluster regions as molecular transport pathways

scientific article

Targeting RNA structure in SMN2 reverses spinal muscular atrophy molecular phenotypes.

scientific article

Temperature-Dependent NMR and CD Spectra ofβ-Peptides: On the Thermal Stability ofβ-Peptide Helices - Is the Folding Process ofβ-Peptides Non-cooperative?

The ALK gene, an attractive target for inhibitor development

scientific article published on January 2011

The Bioactive Conformation of Neuropeptide Y Analogues at the Human Y2‐Receptor ⬇️

scientific article published on 01 August 1997

The Different Flexibility of c-Src and c-Abl Kinases Regulates the Accessibility of a Druggable Inactive Conformation

scientific article published on 30 January 2012

The crystal structure of Aspergillus fumigatus cyclophilin reveals 3D domain swapping of a central element.

scientific article published in February 2006

The crystal structure of PfFabZ, the unique beta-hydroxyacyl-ACP dehydratase involved in fatty acid biosynthesis of Plasmodium falciparum.

scientific article published on June 2005

The pharmaceutical biochemistry group: where pharmaceutical chemistry meets biology and drug delivery.

scientific article published on January 2012

The role of the N-terminal domain in the regulation of the "constitutively active" conformation of protein kinase CK2α: insight from a molecular dynamics investigation

scientific article published on 17 May 2011

Thermodynamics of protein-ligand interactions: history, presence, and future aspects

scientific article published in February 2004

Unique substrate specificity of anaplastic lymphoma kinase (ALK): development of phosphoacceptor peptides for the assay of ALK activity

scientific article published on June 2005

Validation of a Novel Molecular Dynamics Simulation Approach for Lipophilic Drug Incorporation into Polymer Micelles

scientific article published on 27 February 2013

Validation of a novel molecular dynamics simulation approach for lipophilic drug incorporation into polymer micelles

scientific article published on 2 April 2012

Virtual screening: an in silico tool for interlacing the chemical universe with the proteome.

scientific article

List of works by Leonardo Scapozza

A Coincidence Detection Mechanism Controls PX-BAR Domain-Mediated Endocytic Membrane Remodeling via an Allosteric Structural Switch.

A high yield optimized method for the production of acylated ACPs enabling the analysis of enzymes involved in P. falciparum fatty acid biosynthesis

A molecular dynamics study of reovirus attachment protein sigma1 reveals conformational changes in sigma1 structure

A new N-methyl thymine derivative comprising a dihydroxyisobutenyl unit as ligand for thymidine kinase of herpes simplex virus type 1 (HSV-1 TK).

A subset of N-substituted phenothiazines inhibits NADPH oxidases

Adenosine Kinase of T. b. Rhodesiense identified as the putative target of 4-[5-(4-phenoxyphenyl)-2H-pyrazol-3-yl]morpholine using chemical proteomics

Adrenergic antagonists restrict replication of Legionella

Amoebae-Based Screening Reveals a Novel Family of Compounds Restricting Intracellular Legionella pneumophila

An enzyme-linked immunosorbent assay to screen for inhibitors of the oncogenic anaplastic lymphoma kinase.

Analysis of the cross-reactivity and of the 1.5 A crystal structure of the Malassezia sympodialis Mala s 6 allergen, a member of the cyclophilin pan-allergen family

Antimycobacterial drug discovery using Mycobacteria-infected amoebae identifies anti-infectives and new molecular targets.

Autoregulation of Class II Alpha PI3K Activity by Its Lipid-Binding PX-C2 Domain Module

Backbone assignment of the tyrosine kinase Src catalytic domain in complex with imatinib

Biochemical and structural characterization of (South)-methanocarbathymidine that specifically inhibits growth of herpes simplex virus type 1 thymidine kinase-transduced osteosarcoma cells

Breaking the aggregation of the monoclonal antibody bevacizumab (avastin®) by dexamethasone phosphate: insights from molecular modelling and asymmetrical flow field-flow fractionation

C-5 hydroxyethyl and hydroxypropyl acyclonucleosides as substrates for thymidine kinase of herpes simplex virus type 1 (HSV-1 TK): syntheses and biological evaluation.

Caloric restriction induces energy-sparing alterations in skeletal muscle contraction, fiber composition and local thyroid hormone metabolism that persist during catch-up fat upon refeeding

Calpain-mediated cleavage of Atg5 switches autophagy to apoptosis.

Caspase-8 is activated by cathepsin D initiating neutrophil apoptosis during the resolution of inflammation

Characterization of compound 584, an Abl kinase inhibitor with lasting effects

Characterization of some molecular mechanisms governing autoactivation of the catalytic domain of the anaplastic lymphoma kinase.

Chemoenzymatic Synthesis of Original Stilbene Dimers Possessing Wnt Inhibition Activity in Triple-Negative Breast Cancer Cells Using the Enzymatic Secretome of Botrytis cinerea Pers.

ClickMD: an intuitive web-oriented molecular dynamics platform

Comparison of the crystal structures of the human manganese superoxide dismutase and the homologous Aspergillus fumigatus allergen at 2-A resolution

Cooperative binding of the tandem WW domains of PLEKHA7 to PDZD11 promotes conformation-dependent interaction with tetraspanin 33

Crizotinib-resistant NPM-ALK mutants confer differential sensitivity to unrelated Alk inhibitors

Cross-reactivity and 1.4-A crystal structure of Malassezia sympodialis thioredoxin (Mala s 13), a member of a new pan-allergen family

Crystal Structures of T. b. rhodesiense Adenosine Kinase Complexed with Inhibitor and Activator: Implications for Catalysis and Hyperactivation

Density functional studies on herpes simplex virus type 1 thymidine kinase–substrate interactions: The role of Tyr-172 and Met-128 in thymine fixation ⬇️

Design and purification of active truncated phosphoinositide 3-kinase gamma protein constructs for structural studies.

Design, synthesis, and biological activity of urea derivatives as anaplastic lymphoma kinase inhibitors.

Design, synthesis, and biological and crystallographic evaluation of novel inhibitors of Plasmodium falciparum enoyl-ACP-reductase (PfFabI)

Development and validation of a capillary electrophoresis method for the characterization of herpes simplex virus type 1 (HSV-1) thymidine kinase substrates and inhibitors

Development of a three-dimensional model for the N-methyl-D-aspartate NR2A subunit

Diapocynin, a dimer of the NADPH oxidase inhibitor apocynin, reduces ROS production and prevents force loss in eccentrically contracting dystrophic muscle

Differences between in vivo and in vitro sensitivity to imatinib of Bcr/Abl+ cells obtained from leukemic patients.

Differences in Conformational Dynamics between Plasmodium falciparum and Human Hsp90 Orthologues Enable the Structure-Based Discovery of Pathogen-Selective Inhibitors

Drug repurposing in oncology: Compounds, pathways, phenotypes and computational approaches for colorectal cancer

Efficacy study of two novel hyaluronic acid-based formulations for viscosupplementation therapy in an early osteoarthrosic rabbit model.

Establishment and validation of whole-cell based fluorescence assays to identify anti-mycobacterial compounds using the Acanthamoeba castellanii-Mycobacterium marinum host-pathogen system

Exploring the Ubiquitin-Proteasome System (UPS) through PROTAC Technology

Expression, purification and biochemical characterization of recombinant Ca-dependent protein kinase 2 of the malaria parasite Plasmodium falciparum

Folding and self-assembly of herpes simplex virus type 1 thymidine kinase ⬇️

From compound to target: chemical proteomics and in silico screening identify Hsp90 and CDPK2 as putative targets in Plasmodium falciparum.

High-level expression and purification of human thymidine kinase 1: quaternary structure, stability, and kinetics

Homology modeling and dynamics of the extracellular domain of rat and human neuronal nicotinic acetylcholine receptor subtypes alpha4beta2 and alpha7.

Homology modelling and docking studies on Varicella Zoster Virus Thymidine kinase

How 'Protein-Docking' Translates into the New Emerging Field of Docking Small Molecules to Nucleic Acids?

Identification of Anti-Mycobacterium and Anti-Legionella Compounds With Potential Distinctive Structural Scaffolds From an HD-PBL Using Phenotypic Screens in Amoebae Host Models

Immunological and structural analysis of IgE-mediated cross-reactivity between manganese superoxide dismutases.

In Silico Driven Design and Synthesis of Rhodanine Derivatives as Novel Antibacterials Targeting the Enoyl Reductase InhA.

In vitro and in vivo activity of SKI-606, a novel Src-Abl inhibitor, against imatinib-resistant Bcr-Abl+ neoplastic cells

Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids

Inhibition of RET tyrosine kinase by SU5416.

Inhibitors of Mycobacterium marinum virulence identified in a Dictyostelium discoideum host model

Ligand selectivity for the acetylcholine binding site of the rat alpha4beta2 and alpha3beta4 nicotinic subtypes investigated by molecular docking.

Methodology and problems of protein-ligand docking: case study of dihydroorotate dehydrogenase, thymidine kinase, and phosphodiesterase 4.

Modeling and resistant alleles explain the selectivity of antimalarial compound 49c towards apicomplexan aspartyl proteases

Molecular Dynamics Simulation of MHC-Peptide Complexes as a Tool for Predicting Potential T Cell Epitopes ⬇️

Molecular mechanisms of resistance to imatinib in Philadelphia-chromosome-positive leukaemias.

NADPH oxidase (NOX) isoforms are inhibited by celastrol with a dual mode of action

NPM/ALK mutants resistant to ASP3026 display variable sensitivity to alternative ALK inhibitors but succumb to the novel compound PF-06463922

Naphthoquinone derivatives exert their antitrypanosomal activity via a multi-target mechanism

Platelet Transforming Growth Factor-β1 Induces Liver Sinusoidal Endothelial Cells to Secrete Interleukin-6

Purine metabolite and energy charge analysis of Trypanosoma brucei cells in different growth phases using an optimized ion-pair RP-HPLC/UV for the quantification of adenine and guanine pools

RET kinase inhibitors: a review of recent patents (2012-2015).

RNA interference screening identifies a novel role for PCTK1/CDK16 in medulloblastoma with c-Myc amplification

RNA pentaloop structures as effective targets of regulators belonging to the RsmA/CsrA protein family

Recombinant expression and biochemical characterization of the unique elongating beta-ketoacyl-acyl carrier protein synthase involved in fatty acid biosynthesis of Plasmodium falciparum using natural and artificial substrates.

Repurposing the Selective Oestrogen Receptor Modulator Tamoxifen for the Treatment of Duchenne Muscular Dystrophy

Single-molecule pulling simulations can discern active from inactive enzyme inhibitors

Small-molecule NOX inhibitors: ROS-generating NADPH oxidases as therapeutic targets

Structural Insights into the ATP Binding Pocket of the Anaplastic Lymphoma Kinase by Site-Directed Mutagenesis, Inhibitor Binding Analysis, and Homology Modeling

Structure of a type II thymidine kinase with bound dTTP

Synthesis and biological evaluation of 5-substituted derivatives of the potent antiherpes agent (north)-methanocarbathymine

Synthesis and biological evaluation of benzo[4,5]imidazo[1,2-c]pyrimidine and benzo[4,5]imidazo[1,2-a]pyrazine derivatives as anaplastic lymphoma kinase inhibitors

Synthesis and biological evaluation of iodinated and fluorinated 9-(2-hydroxypropyl) and 9-(2-hydroxyethoxy)methyl purine nucleoside analogues

Synthesis and characterization of a C6 nucleoside analogue for the in vivo imaging of the gene expression of herpes simplex virus type-1 thymidine kinase (HSV1 TK).

Synthesis and evaluation of antiparasitic activities of new 4-[5-(4-phenoxyphenyl)-2H-pyrazol-3-yl]morpholine derivatives