List of works - Nunzio Iraci

A Comprehensive Structural Overview of p38α MAPK in Complex with Type I Inhibitors

scientific article published on 09 April 2015

Accounting for target flexibility and water molecules by docking to ensembles of target structures: the HCV NS5B palm site I inhibitors case study.

scientific article

Binding Mode Prediction of Strand Transfer HIV-1 Integrase Inhibitors Using Tn5 Transposase as a Plausible Surrogate Model for HIV-1 Integrase

article

Computer-aided design, synthesis and validation of 2-phenylquinazolinone fragments as CDK9 inhibitors with anti-HIV-1 Tat-mediated transcription activity.

scientific article published on 21 October 2013

De novo gain-of-function variants in KCNT2 as a novel cause of developmental and epileptic encephalopathy

scientific article published on 01 June 2018

Decoding the function of the N-terminal tail of the cellular prion protein to inspire novel therapeutic avenues for neurodegenerative diseases

scientific article published on 23 October 2014

Design and Synthesis of DiselenoBisBenzamides (DISeBAs) as Nucleocapsid Protein 7 (NCp7) Inhibitors with anti-HIV Activity.

scientific article published on 27 November 2015

Diselenides and Benzisoselenazolones as Antiproliferative Agents and Glutathione-S-Transferase Inhibitors

scientific article published on 11 August 2019

Early-onset epileptic encephalopathy caused by a reduced sensitivity of Kv7.2 potassium channels to phosphatidylinositol 4,5-bisphosphate.

scientific article published on December 2016

Exploiting the anti-HIV 6-desfluoroquinolones to design multiple ligands.

scientific article published on 22 July 2014

From small to powerful: the fragments universe and its "chem-appeal".

scientific article

Identification of a Potent Tryptophan-Based TRPM8 Antagonist With in Vivo Analgesic Activity

scientific article published on 10 July 2018

IκB kinase ε targets interferon regulatory factor 1 in activated T lymphocytes.

scientific article published on 06 January 2014

Kv7.3 Compound Heterozygous Variants in Early Onset Encephalopathy Reveal Additive Contribution of C-Terminal Residues to PIP2-Dependent K+ Channel Gating.

scientific article published on 30 January 2018

NCp7: targeting a multitask protein for next-generation anti-HIV drug development part 2. Noncovalent inhibitors and nucleic acid binders.

scientific article published on 8 January 2018

NCp7: targeting a multitasking protein for next-generation anti-HIV drug development part 1: covalent inhibitors.

scientific article

Pharmacological Agents Targeting the Cellular Prion Protein

scientific article published on 7 March 2018

Pharmacophore-Based Repositioning of Approved Drugs as Novel Staphylococcus aureus NorA Efflux Pump Inhibitors

scientific article

Protein interaction evolution from promiscuity to specificity with reduced flexibility in an increasingly complex network

scientific article published on 24 March 2017

Pyrazolo[4,3-c][1,2]benzothiazines 5,5-dioxide: a promising new class of Staphylococcus aureus NorA efflux pump inhibitors.

scientific article

Synthesis and Pharmacological Characterization of Conformationally Restricted Retigabine Analogues as Novel Neuronal Kv7 Channel Activators

scientific article published on 24 December 2019

Tryptamine-Based Derivatives as Transient Receptor Potential Melastatin Type 8 (TRPM8) Channel Modulators

article

Tumor Targeting by Peptide-Decorated Gold Nanoparticles

scientific article published on 29 April 2019

l-Arginine Improves Solubility and ANTI SARS-CoV-2 Mpro Activity of Rutin but Not the Antiviral Activity in Cells

scientific article published on 7 October 2021

p38α MAPK and Type I Inhibitors: Binding Site Analysis and Use of Target Ensembles in Virtual Screening.

scientific article published on 31 August 2015

List of works by Nunzio Iraci

A Comprehensive Structural Overview of p38α MAPK in Complex with Type I Inhibitors

Accounting for target flexibility and water molecules by docking to ensembles of target structures: the HCV NS5B palm site I inhibitors case study.

Binding Mode Prediction of Strand Transfer HIV-1 Integrase Inhibitors Using Tn5 Transposase as a Plausible Surrogate Model for HIV-1 Integrase

Computer-aided design, synthesis and validation of 2-phenylquinazolinone fragments as CDK9 inhibitors with anti-HIV-1 Tat-mediated transcription activity.

De novo gain-of-function variants in KCNT2 as a novel cause of developmental and epileptic encephalopathy

Decoding the function of the N-terminal tail of the cellular prion protein to inspire novel therapeutic avenues for neurodegenerative diseases

Design and Synthesis of DiselenoBisBenzamides (DISeBAs) as Nucleocapsid Protein 7 (NCp7) Inhibitors with anti-HIV Activity.

Diselenides and Benzisoselenazolones as Antiproliferative Agents and Glutathione-S-Transferase Inhibitors

Early-onset epileptic encephalopathy caused by a reduced sensitivity of Kv7.2 potassium channels to phosphatidylinositol 4,5-bisphosphate.

Exploiting the anti-HIV 6-desfluoroquinolones to design multiple ligands.

From small to powerful: the fragments universe and its "chem-appeal".

Identification of a Potent Tryptophan-Based TRPM8 Antagonist With in Vivo Analgesic Activity

IκB kinase ε targets interferon regulatory factor 1 in activated T lymphocytes.

Kv7.3 Compound Heterozygous Variants in Early Onset Encephalopathy Reveal Additive Contribution of C-Terminal Residues to PIP2-Dependent K+ Channel Gating.

NCp7: targeting a multitask protein for next-generation anti-HIV drug development part 2. Noncovalent inhibitors and nucleic acid binders.

NCp7: targeting a multitasking protein for next-generation anti-HIV drug development part 1: covalent inhibitors.

Pharmacological Agents Targeting the Cellular Prion Protein

Pharmacophore-Based Repositioning of Approved Drugs as Novel Staphylococcus aureus NorA Efflux Pump Inhibitors

Protein interaction evolution from promiscuity to specificity with reduced flexibility in an increasingly complex network

Pyrazolo[4,3-c][1,2]benzothiazines 5,5-dioxide: a promising new class of Staphylococcus aureus NorA efflux pump inhibitors.

Synthesis and Pharmacological Characterization of Conformationally Restricted Retigabine Analogues as Novel Neuronal Kv7 Channel Activators

Tryptamine-Based Derivatives as Transient Receptor Potential Melastatin Type 8 (TRPM8) Channel Modulators

Tumor Targeting by Peptide-Decorated Gold Nanoparticles

l-Arginine Improves Solubility and ANTI SARS-CoV-2 Mpro Activity of Rutin but Not the Antiviral Activity in Cells

p38α MAPK and Type I Inhibitors: Binding Site Analysis and Use of Target Ensembles in Virtual Screening.