List of works - Maria Letizia Barreca

1,4-Benzothiazine ATP-sensitive potassium channel openers: modifications at the C-2 and C-6 positions

scientific article published on 28 May 2013

2-Phenylquinoline S. aureus NorA Efflux Pump Inhibitors: Evaluation of the Importance of Methoxy Group Introduction

scientific article published on 17 August 2018

3D Pharmacophore Models for 1,2,3,4-Tetrahydroisoquinoline Derivatives Acting as Anticonvulsant Agents

scientific article published on 01 July 2006

5-Arylidene-2-imino-4-thiazolidinones: design and synthesis of novel anti-inflammatory agents

scientific article

A 1,8-naphthyridone derivative targets the HIV-1 Tat-mediated transcription and potently inhibits the HIV-1 replication

scientific article

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

scientific article published on 09 April 2015

A Comprehensive Structural Overview of p38α Mitogen-Activated Protein Kinase in Complex with ATP-Site and Non-ATP-Site Binders

scientific article published on 6 December 2017

A Journey around the Medicinal Chemistry of Hepatitis C Virus Inhibitors Targeting NS4B: From Target to Preclinical Drug Candidates

scientific article published on 04 August 2015

A cellular screening platform, stably expressing DENV2 NS5, defines a novel anti-DENV mechanism of action of Apigenin based on STAT2 activation

scientific article published in June 2023

A highly intensified ART regimen induces long-term viral suppression and restriction of the viral reservoir in a simian AIDS model

scientific article

A refined pharmacophore model for HIV-1 integrase inhibitors: Optimization of potency in the 1H-benzylindole series

scientific article published on 8 April 2008

AMPA receptor antagonists as potential anticonvulsant drugs

scientific article

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

Allosteric inhibition of the hepatitis C virus NS5B polymerase: in silico strategies for drug discovery and development

scientific article published on June 2011

Analysis of the full-length integrase–DNA complex by a modified approach for DNA docking

article

Anti-HIV agents: design and discovery of new potent RT inhibitors

scientific article

Ask the experts: focus on computational chemistry

scientific article published in June 2011

Bicyclic octahydrocyclohepta[b]pyrrol-4(1H)one derivatives as novel selective anti-hepatitis C virus agents

scientific article published on 23 June 2016

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

article

Binding models of reversible inhibitors to type-B monoamine oxidase

scientific article

Binding modes of noncompetitive AMPA antagonists: a computational approach

scientific article

Broad spectrum anti-flavivirus pyridobenzothiazolones leading to less infective virions

scientific article published on 06 March 2019

C-2 phenyl replacements to obtain potent quinoline-based Staphylococcus aureus NorA inhibitors

scientific article published on 01 December 2020

Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38α MAPK inhibitors

scientific article published on 27 February 2019

Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT.

scientific article published in May 2005

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

Deciphering the Molecular Recognition Mechanism of Multidrug Resistance Staphylococcus aureus NorA Efflux Pump Using a Supervised Molecular Dynamics Approach

scientific article published on 19 August 2019

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, synthesis, and biological evaluation of a series of 2-hydroxyisoquinoline-1,3(2H,4H)-diones as dual inhibitors of human immunodeficiency virus type 1 integrase and the reverse transcriptase RNase H domain

scientific article

Design, synthesis, structure-activity relationships, and molecular modeling studies of 2,3-diaryl-1,3-thiazolidin-4-ones as potent anti-HIV agents

scientific article published on November 2002

Discovery of 2,3-diaryl-1,3-thiazolidin-4-ones as potent anti-HIV-1 agents.

scientific article

Discovery of a novel and highly potent noncompetitive AMPA receptor antagonist

scientific article

Discovery of novel benzimidazolones as potent non-nucleoside reverse transcriptase inhibitors active against wild-type and mutant HIV-1 strains

scientific article published on 19 January 2007

Discovery of the 2-phenyl-4,5,6,7-Tetrahydro-1H-indole as a novel anti-hepatitis C virus targeting scaffold

scientific article

Docking studies on a new human immunodeficiency virus integrase-Mg-DNA complex: phenyl ring exploration and synthesis of 1H-benzylindole derivatives through fluorine substitutions

scientific article

Efficient 3D database screening for novel HIV-1 IN inhibitors

scientific article published in July 2004

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

scientific article published on 22 July 2014

Exploring the cycloheptathiophene-3-carboxamide scaffold to disrupt the interactions of the influenza polymerase subunits and obtain potent anti-influenza activity

scientific article published on 8 June 2017

Functionalized 2,1-benzothiazine 2,2-dioxides as new inhibitors of Dengue NS5 RNA-dependent RNA polymerase

scientific article published on 11 November 2017

Human immunodeficiency virus integrase inhibitors efficiently suppress feline immunodeficiency virus replication in vitro and provide a rationale to redesign antiretroviral treatment for feline AIDS

scientific article

Induced-fit docking approach provides insight into the binding mode and mechanism of action of HIV-1 integrase inhibitors.

scientific article published in September 2009

Maria Letizia Barreca on hepatitis C virus treatment and control

scientific article published on 21 December 2015

Modifications on C6 and C7 Positions of 3-Phenylquinolone Efflux Pump Inhibitors Led to Potent and Safe Antimycobacterial Treatment Adjuvants

scientific article published on 04 April 2019

Molecular dynamics studies of the full-length integrase-DNA complex

scientific article published in November 2005

New 4-[(1-benzyl-1H-indol-3-yl)carbonyl]-3-hydroxyfuran-2(5H)-ones, beta-diketo acid analogs as HIV-1 integrase inhibitors

scientific article

New chloro,fluorobenzylindole derivatives as integrase strand-transfer inhibitors (INSTIs) and their mode of action

scientific article published on 22 June 2010

New pyrazolobenzothiazine derivatives as hepatitis C virus NS5B polymerase palm site I inhibitors

scientific article

New trends in the development of AMPA receptor antagonists

article

Novel N1-substituted 1,3-dihydro-2H-benzimidazol-2-ones as potent non-nucleoside reverse transcriptase inhibitors

scientific article

Pharmacological Agents Targeting the Cellular Prion Protein

scientific article published on 7 March 2018

Pharmacological inactivation of the prion protein by targeting a folding intermediate

scientific article published on 12 January 2021

Pharmacophore modeling as an efficient tool in the discovery of novel noncompetitive AMPA receptor antagonists

scientific article published on March 2003

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

scientific article

Pharmacophore-based design of HIV-1 integrase strand-transfer inhibitors

scientific article published on November 2005

Pharmacophore-based discovery of small-molecule inhibitors of protein-protein interactions between HIV-1 integrase and cellular cofactor LEDGF/p75.

scientific article published in August 2009

Preclinical evaluation of 1H-benzylindole derivatives as novel human immunodeficiency virus integrase strand transfer inhibitors

scientific article published on 9 June 2008

Pyridobenzothiazole derivatives as new chemotype targeting the HCV NS5B polymerase

scientific article

QSAR study of anticonvulsant negative allosteric modulators of the AMPA receptor

scientific article published in March 2004

Re-evolution of the 2-phenylquinolines: ligand-based design, synthesis, and biological evaluation of a potent new class of Staphylococcus aureus NorA efflux pump inhibitors to combat antimicrobial resistance

scientific article published on 13 June 2013

Response of a simian immunodeficiency virus (SIVmac251) to raltegravir: a basis for a new treatment for simian AIDS and an animal model for studying lentiviral persistence during antiretroviral therapy

scientific article

Response of feline immunodeficiency virus (FIV) to tipranavir may provide new clues for development of broad-based inhibitors of retroviral proteases acting on drug-resistant HIV-1.

scientific article

Searching for Novel Inhibitors of the S. aureus NorA Efflux Pump: Synthesis and Biological Evaluation of the 3-Phenyl-1,4-benzothiazine Analogues

scientific article published on 9 June 2017

Small molecules targeting the interaction between HIV-1 integrase and LEDGF/p75 cofactor

scientific article published on 17 September 2010

Structural Modification of Diketo Acid Portion in 1H-Benzylindole Derivatives HIV-1 Integrase Inhibitors

article

Structural Modifications of the Quinolin-4-yloxy Core to Obtain New Staphylococcus aureus NorA Inhibitors

scientific article published on 24 September 2020

Structure-Activity Relationships on Cinnamoyl Derivatives as Inhibitors of p300 Histone Acetyltransferase.

scientific article published on 27 March 2017

Structure-based discovery of pyrazolobenzothiazine derivatives as inhibitors of hepatitis C virus replication

scientific article

Structure-based pharmacophore identification of new chemical scaffolds as non-nucleoside reverse transcriptase inhibitors

scientific article

Studies on 2-phenylquinoline Staphylococcus aureus NorA efflux pump inhibitors: New insights on the C-6 position

Synthesis and anticonvulsant properties of tetrahydroisoquinoline derivatives

scientific article published in January 2004

Synthesis of new pyridazine derivatives as potential anti-HIV-1 agents

article

Synthesis, resolution, stereochemistry, and molecular modeling of (R)- and (S)-2-acetyl-1-(4′-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline AMPAR antagonists

scientific article published on 31 May 2007

Targeting flavivirus RNA dependent RNA polymerase through a pyridobenzothiazole inhibitor

scientific article

The Pyrazolobenzothiazine Core as a New Chemotype of p38 Alpha Mitogen-Activated Protein Kinase Inhibitors.

scientific article published on 14 January 2015

The versatile nature of the 6-aminoquinolone scaffold: identification of submicromolar hepatitis C virus NS5B inhibitors

scientific article

Tn5 transposase as a useful platform to simulate HIV-1 integrase inhibitor binding mode

scientific article published on 14 September 2007

Tumour cell population growth inhibition and cell death induction of functionalized 6-aminoquinolone derivatives

scientific article published on December 2015

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 Maria Letizia Barreca

1,4-Benzothiazine ATP-sensitive potassium channel openers: modifications at the C-2 and C-6 positions

2-Phenylquinoline S. aureus NorA Efflux Pump Inhibitors: Evaluation of the Importance of Methoxy Group Introduction

3D Pharmacophore Models for 1,2,3,4-Tetrahydroisoquinoline Derivatives Acting as Anticonvulsant Agents

5-Arylidene-2-imino-4-thiazolidinones: design and synthesis of novel anti-inflammatory agents

A 1,8-naphthyridone derivative targets the HIV-1 Tat-mediated transcription and potently inhibits the HIV-1 replication

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

A Comprehensive Structural Overview of p38α Mitogen-Activated Protein Kinase in Complex with ATP-Site and Non-ATP-Site Binders

A Journey around the Medicinal Chemistry of Hepatitis C Virus Inhibitors Targeting NS4B: From Target to Preclinical Drug Candidates

A cellular screening platform, stably expressing DENV2 NS5, defines a novel anti-DENV mechanism of action of Apigenin based on STAT2 activation

A highly intensified ART regimen induces long-term viral suppression and restriction of the viral reservoir in a simian AIDS model

A refined pharmacophore model for HIV-1 integrase inhibitors: Optimization of potency in the 1H-benzylindole series

AMPA receptor antagonists as potential anticonvulsant drugs

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

Allosteric inhibition of the hepatitis C virus NS5B polymerase: in silico strategies for drug discovery and development

Analysis of the full-length integrase–DNA complex by a modified approach for DNA docking

Anti-HIV agents: design and discovery of new potent RT inhibitors

Ask the experts: focus on computational chemistry

Bicyclic octahydrocyclohepta[b]pyrrol-4(1H)one derivatives as novel selective anti-hepatitis C virus agents

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

Binding models of reversible inhibitors to type-B monoamine oxidase

Binding modes of noncompetitive AMPA antagonists: a computational approach

Broad spectrum anti-flavivirus pyridobenzothiazolones leading to less infective virions

C-2 phenyl replacements to obtain potent quinoline-based Staphylococcus aureus NorA inhibitors

Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38α MAPK inhibitors

Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT.

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

Deciphering the Molecular Recognition Mechanism of Multidrug Resistance Staphylococcus aureus NorA Efflux Pump Using a Supervised Molecular Dynamics Approach

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

Design, synthesis, and biological evaluation of a series of 2-hydroxyisoquinoline-1,3(2H,4H)-diones as dual inhibitors of human immunodeficiency virus type 1 integrase and the reverse transcriptase RNase H domain

Design, synthesis, structure-activity relationships, and molecular modeling studies of 2,3-diaryl-1,3-thiazolidin-4-ones as potent anti-HIV agents

Discovery of 2,3-diaryl-1,3-thiazolidin-4-ones as potent anti-HIV-1 agents.

Discovery of a novel and highly potent noncompetitive AMPA receptor antagonist

Discovery of novel benzimidazolones as potent non-nucleoside reverse transcriptase inhibitors active against wild-type and mutant HIV-1 strains

Discovery of the 2-phenyl-4,5,6,7-Tetrahydro-1H-indole as a novel anti-hepatitis C virus targeting scaffold

Docking studies on a new human immunodeficiency virus integrase-Mg-DNA complex: phenyl ring exploration and synthesis of 1H-benzylindole derivatives through fluorine substitutions

Efficient 3D database screening for novel HIV-1 IN inhibitors

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

Exploring the cycloheptathiophene-3-carboxamide scaffold to disrupt the interactions of the influenza polymerase subunits and obtain potent anti-influenza activity

Functionalized 2,1-benzothiazine 2,2-dioxides as new inhibitors of Dengue NS5 RNA-dependent RNA polymerase

Human immunodeficiency virus integrase inhibitors efficiently suppress feline immunodeficiency virus replication in vitro and provide a rationale to redesign antiretroviral treatment for feline AIDS

Induced-fit docking approach provides insight into the binding mode and mechanism of action of HIV-1 integrase inhibitors.

Maria Letizia Barreca on hepatitis C virus treatment and control

Modifications on C6 and C7 Positions of 3-Phenylquinolone Efflux Pump Inhibitors Led to Potent and Safe Antimycobacterial Treatment Adjuvants

Molecular dynamics studies of the full-length integrase-DNA complex

New 4-[(1-benzyl-1H-indol-3-yl)carbonyl]-3-hydroxyfuran-2(5H)-ones, beta-diketo acid analogs as HIV-1 integrase inhibitors

New chloro,fluorobenzylindole derivatives as integrase strand-transfer inhibitors (INSTIs) and their mode of action

New pyrazolobenzothiazine derivatives as hepatitis C virus NS5B polymerase palm site I inhibitors

New trends in the development of AMPA receptor antagonists

Novel N1-substituted 1,3-dihydro-2H-benzimidazol-2-ones as potent non-nucleoside reverse transcriptase inhibitors

Pharmacological Agents Targeting the Cellular Prion Protein

Pharmacological inactivation of the prion protein by targeting a folding intermediate

Pharmacophore modeling as an efficient tool in the discovery of novel noncompetitive AMPA receptor antagonists

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

Pharmacophore-based design of HIV-1 integrase strand-transfer inhibitors

Pharmacophore-based discovery of small-molecule inhibitors of protein-protein interactions between HIV-1 integrase and cellular cofactor LEDGF/p75.

Preclinical evaluation of 1H-benzylindole derivatives as novel human immunodeficiency virus integrase strand transfer inhibitors

Pyridobenzothiazole derivatives as new chemotype targeting the HCV NS5B polymerase

QSAR study of anticonvulsant negative allosteric modulators of the AMPA receptor

Re-evolution of the 2-phenylquinolines: ligand-based design, synthesis, and biological evaluation of a potent new class of Staphylococcus aureus NorA efflux pump inhibitors to combat antimicrobial resistance

Response of a simian immunodeficiency virus (SIVmac251) to raltegravir: a basis for a new treatment for simian AIDS and an animal model for studying lentiviral persistence during antiretroviral therapy

Response of feline immunodeficiency virus (FIV) to tipranavir may provide new clues for development of broad-based inhibitors of retroviral proteases acting on drug-resistant HIV-1.

Searching for Novel Inhibitors of the S. aureus NorA Efflux Pump: Synthesis and Biological Evaluation of the 3-Phenyl-1,4-benzothiazine Analogues

Small molecules targeting the interaction between HIV-1 integrase and LEDGF/p75 cofactor

Structural Modification of Diketo Acid Portion in 1H-Benzylindole Derivatives HIV-1 Integrase Inhibitors

Structural Modifications of the Quinolin-4-yloxy Core to Obtain New Staphylococcus aureus NorA Inhibitors

Structure-Activity Relationships on Cinnamoyl Derivatives as Inhibitors of p300 Histone Acetyltransferase.

Structure-based discovery of pyrazolobenzothiazine derivatives as inhibitors of hepatitis C virus replication

Structure-based pharmacophore identification of new chemical scaffolds as non-nucleoside reverse transcriptase inhibitors

Studies on 2-phenylquinoline Staphylococcus aureus NorA efflux pump inhibitors: New insights on the C-6 position

Synthesis and anticonvulsant properties of tetrahydroisoquinoline derivatives

Synthesis of new pyridazine derivatives as potential anti-HIV-1 agents

Synthesis, resolution, stereochemistry, and molecular modeling of (R)- and (S)-2-acetyl-1-(4′-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline AMPAR antagonists

Targeting flavivirus RNA dependent RNA polymerase through a pyridobenzothiazole inhibitor

The Pyrazolobenzothiazine Core as a New Chemotype of p38 Alpha Mitogen-Activated Protein Kinase Inhibitors.

The versatile nature of the 6-aminoquinolone scaffold: identification of submicromolar hepatitis C virus NS5B inhibitors

Tn5 transposase as a useful platform to simulate HIV-1 integrase inhibitor binding mode

Tumour cell population growth inhibition and cell death induction of functionalized 6-aminoquinolone derivatives

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