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List of works by Laura De Luca

2-hydroxyisoquinoline-1,3(2H,4H)-diones as inhibitors of HIV-1 integrase and reverse transcriptase RNase H domain: influence of the alkylation of position 4.

scientific article published on 27 November 2010

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

scientific article published on 01 July 2006

4-[1-(4-Fluorobenzyl)-4-hydroxy-1H-indol-3-yl]-2-hydroxy-4-oxobut-2-enoic acid as a prototype to develop dual inhibitors of HIV-1 integration process

scientific article

6-Chloro-1-(3,5-dimethyl-phenyl-sulfon-yl)-1H-benzimidazol-2(3H)-one

scientific article published on 20 December 2008

A new potential approach to block HIV-1 replication via protein-protein interaction and strand-transfer inhibition

scientific article published on 20 February 2014

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

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

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

article

Binding modes of noncompetitive AMPA antagonists: a computational approach

scientific article

Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms

scientific article

Chemical exploration of 4-(4-fluorobenzyl)piperidine fragment for the development of new tyrosinase inhibitors

scientific article published on 18 October 2016

Combined strategies for the discovery of ionotropic glutamate receptor antagonists

scientific article

Computational and synthetic approaches for developing Lavendustin B derivatives as allosteric inhibitors of HIV-1 integrase

scientific article published on 03 August 2016

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

scientific article published in May 2005

Computational studies to discover a new NR2B/NMDA receptor antagonist and evaluation of pharmacological profile

scientific article published in October 2008

Correction to Targeting Tyrosinase: Development and Structural Insights of Novel Inhibitors Bearing Arylpiperidine and Arylpiperazine Fragments

scientific article published on 30 January 2019

Design and synthesis of N₁-aryl-benzimidazoles 2-substituted as novel HIV-1 non-nucleoside reverse transcriptase inhibitors

scientific article published on 30 December 2013

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

Diketoacid chelating ligands as dual inhibitors of HIV-1 integration process

scientific article published on 25 March 2014

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 benzimidazole-based L. mexicana cysteine protease CPB2.8ΔCTE inhibitors as potential therapeutics for leishmaniasis.

scientific article published on 4 May 2018

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 1-(4-fluorobenzyl)piperazine fragment for the development of novel tyrosinase inhibitors as anti-melanogenic agents: Design, synthesis, structural insights and biological profile

scientific article published on 06 June 2019

Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety

scientific article published on 01 December 2018

Fragment hopping approach directed at design of HIV IN-LEDGF/p75 interaction inhibitors

scientific article

Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping

scientific article published on 16 June 2011

Fragmental modeling of human glutamate transporter EAAT1 and analysis of its binding modes by docking and pharmacophore mapping

scientific article published in January 2008

From NMDA receptor antagonists to discovery of selective σ₂ receptor ligands

scientific article published on 15 November 2013

Graphene Quantum Dots Based Systems As HIV Inhibitors

scientific article published on 22 August 2018

HIV-1 integrase strand-transfer inhibitors: design, synthesis and molecular modeling investigation

scientific article

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

Identification of 3,4-Dihydroisoquinoline-2(1H)-sulfonamides as potent carbonic anhydrase inhibitors: synthesis, biological evaluation, and enzyme--ligand X-ray studies

scientific article

Identification of influenza PA-Nter endonuclease inhibitors using pharmacophore- and docking-based virtual screening

scientific article published on 27 July 2018

Improvement of water solubility of non-competitive AMPA receptor antagonists by complexation with beta-cyclodextrin

scientific article published on 5 August 2008

In Silico Insights towards the Identification of SARS-CoV-2 NSP13 Helicase Druggable Pockets

scientific article published on 22 March 2022

Indole derivatives as dual-effective agents for the treatment of neurodegenerative diseases: synthesis, biological evaluation, and molecular modeling studies.

scientific article published on 2 June 2013

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

Inhibitory effects and structural insights for a novel series of coumarin-based compounds that selectively target human CA IX and CA XII carbonic anhydrases

scientific article published on 23 November 2017

Insight into the fundamental interactions between LEDGF binding site inhibitors and integrase combining docking and molecular dynamics simulations

scientific article published on 11 December 2012

Investigation of the salicylaldehyde thiosemicarbazone scaffold for inhibition of influenza virus PA endonuclease

scientific article published on September 2015

In Vivo Evaluation of Selective Carbonic Anhydrase Inhibitors as Potential Anticonvulsant Agents

scientific article published on 24 February 2016

Microwave assisted organic synthesis (MAOS) of small molecules as potential HIV-1 integrase inhibitors.

scientific article

Modeling of the intestinal peptide transporter hPepT1 and analysis of its transport capacities by docking and pharmacophore mapping

scientific article

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

scientific article published in November 2005

N-acylhydrazone inhibitors of influenza virus PA endonuclease with versatile metal binding modes

scientific article published on 11 August 2016

N-substituted isoquinoline derivatives as potential AChE inhibitors

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 scaffolds of natural origin as Integrase-LEDGF/p75 interaction inhibitors: virtual screening and activity assays

scientific article published on 9 August 2013

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

Novel potent anticonvulsant agent containing a tetrahydroisoquinoline skeleton

scientific article published in September 2006

Optimization of rhodanine scaffold for the development of protein-protein interaction inhibitors

scientific article published on 2 May 2015

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

scientific article published on March 2003

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

Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides.

scientific article published on 28 April 2017

QSAR study of anticonvulsant negative allosteric modulators of the AMPA receptor

scientific article published in March 2004

Rational Design, Synthesis and Evaluation of Coumarin Derivatives as Protein-protein Interaction Inhibitors

scientific article published on 25 July 2016

Rational design of small molecules able to inhibit α-synuclein amyloid aggregation for the treatment of Parkinson's disease

scientific article published on 01 December 2020

Searching for indole derivatives as potential mushroom tyrosinase inhibitors

scientific article published on 31 March 2015

Searching for novel N1-substituted benzimidazol-2-ones as non-nucleoside HIV-1 RT inhibitors

scientific article published on 19 May 2017

Simulated human digestion of N1-aryl-2-arylthioacetamidobenzimidazoles and their activity against Herpes-simplex virus 1 in vitro

scientific article published on 02 May 2019

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 optimization of N1-aryl-benzimidazoles for the discovery of new non-nucleoside reverse transcriptase inhibitors active against wild-type and mutant HIV-1 strains

scientific article published on 24 December 2017

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

scientific article

Structure-based screening for the discovery of new carbonic anhydrase VII inhibitors

scientific article

Structure-guided design of new indoles as negative allosteric modulators (NAMs) of N-methyl-D-aspartate receptor (NMDAR) containing GluN2B subunit

scientific article

Synthesis and Biological Characterization of 3-Substituted 1H-Indoles as Ligands of GluN2B-Containing N-Methyl-d-aspartate Receptors. Part 2

scientific article published on 19 November 2012

Synthesis and anti-HIV activity of carboxylated and drug-conjugated multi-walled carbon nanotubes

article

Synthesis and anticonvulsant evaluation of N-substituted isoquinoline AMPA receptor antagonists

scientific article published on 29 November 2007

Synthesis and biological characterization of 3-substituted-1H-indoles as ligands of GluN2B-containing N-methyl-D-aspartate receptors

scientific article published on 16 November 2011

Synthesis and biological evaluation of novel antiviral agents as protein-protein interaction inhibitors

scientific article published on 16 July 2013

Synthesis and biological profile of new 1,2,3,4-tetrahydroisoquinolines as selective carbonic anhydrase inhibitors

scientific article published on 12 October 2011

Synthesis and evaluation of pharmacological profile of 1-aryl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamides.

scientific article published on 7 April 2009

Synthesis and structure-active relationship of 1-aryl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline anticonvulsants

scientific article published on December 2010

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

article

Synthesis, computational studies and assessment of in vitro inhibitory activity of umbelliferon-based compounds against tumour-associated carbonic anhydrase isoforms IX and XII

scientific article published on 01 December 2020

Synthesis, modelling and biological characterization of 3-substituted-1H-indoles as ligands of GluN2B-containing N-methyl-d-aspartate receptors

scientific 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

Synthesis, structure-activity relationship studies, and X-ray crystallographic analysis of arylsulfonamides as potent carbonic anhydrase inhibitors

scientific article

Targeting GluN2B-containing N-Methyl-D-aspartate receptors: design, synthesis, and binding affinity evaluation of novel 3-substituted indoles

scientific article published on 23 May 2014

Targeting Tyrosinase: Development and Structural Insights of Novel Inhibitors Bearing Arylpiperidine and Arylpiperazine Fragments

scientific article published on 10 April 2018

The link between the AMPK/SIRT1 axis and a flavonoid-rich extract of Citrus bergamia juice: A cell-free, in silico, and in vitro study

scientific article published on 15 May 2019

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

scientific article published on 14 September 2007