List of works by Francesco Ortuso

(E)-3-Heteroarylidenechroman-4-ones as potent and selective monoamine oxidase-B inhibitors

scientific article published on 29 March 2016

1,5-Diphenylpenta-2,4-dien-1-ones as potent and selective monoamine oxidase-B inhibitors

scientific article published on 15 November 2012

A Comparative Docking Strategy to Identify Polyphenolic Derivatives as Promising Antineoplastic Binders of G-quadruplex DNA c-myc and bcl-2 Sequences

scientific article

A Fhit-mimetic peptide suppresses annexin A4-mediated chemoresistance to paclitaxel in lung cancer cells

scientific article published on 04 May 2016

A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins.

scientific article published on 10 September 2015

A chromatographic and computational study on the driving force operating in the exceptionally large enantioseparation of N-thiocarbamoyl-3-(4'-biphenyl)-5-phenyl-4,5-dihydro-(1H) pyrazole on a 4-methylbenzoate cellulose-based chiral stationary phase

scientific article published on 20 November 2013

A new series of flavones, thioflavones, and flavanones as selective monoamine oxidase-B inhibitors.

scientific article published on 4 January 2010

An approach to address Candida rugosa lipase regioselectivity in the acylation reactions of trytilated glucosides

scientific article published on 13 January 2007

Antioxidant efficiency of oxovitisin, a new class of red wine pyranoanthocyanins, revealed through quantum mechanical investigations.

scientific article published on 16 January 2013

Benzo[b]tiophen-3-ol derivatives as effective inhibitors of human monoamine oxidase: design, synthesis, and biological activity

scientific article published on 01 December 2019

Biocatalysed synthesis of beta-O-glucosides from 9-fluorenon-2-carbohydroxyesters. Part 3: IFN-inducing and anti-HSV-2 properties.

scientific article published in May 2005

Chalcones: a valid scaffold for monoamine oxidases inhibitors

scientific article (publication date: 14 May 2009)

Chiral 3,3'-(1,2-ethanediyl)-bis[2-(3,4-dimethoxyphenyl)-4-thiazolidinones] with anti-inflammatory activity. Part 11: evaluation of COX-2 selectivity and modelling

scientific article

Chromone, a privileged scaffold for the development of monoamine oxidase inhibitors

scientific article published on July 2011

Chromone-2- and -3-carboxylic acids inhibit differently monoamine oxidases A and B.

scientific article published on 27 March 2010

Computational analysis of Human Immunodeficiency Virus (HIV) Type-1 reverse transcriptase crystallographic models based on significant conserved residues found in Highly Active Antiretroviral Therapy (HAART)-treated patients

scientific article published on January 2010

Computer-aided molecular design of asymmetric pyrazole derivatives with exceptional enantioselective recognition toward the Chiralcel OJ-H stationary phase

scientific article published on 24 February 2012

Conformational search of antisense nucleotides

scientific article published on 01 September 2001

Conformational search of antisense nucleotides. Part 2

scientific article published on 01 March 2004

Conformational studies and solvent-accessible surface area analysis of known selective DNA G-Quadruplex binders.

scientific article published on 16 June 2011

Correction to Discovery of New Chemical Entities for Old Targets: Insights on the Lead Optimization of Chromone-Based Monoamine Oxidase B (MAO-B) Inhibitors

scientific article published on 29 May 2018

Coumarin versus Chromone Monoamine Oxidase B Inhibitors: Quo Vadis?

scientific article published on 28 July 2017

DNA cross-linking by azinomycin B: Monte Carlo simulations in the evaluation of sequence selectivity

scientific article (publication date: 14 February 2002)

Dependence of DNA sequence selectivity and cell cytotoxicity on azinomycin A and B epoxyamide stereochemistry.

scientific article published on 14 April 2007

Design and synthesis of DNA-intercalating 9-fluoren-beta-O-glycosides as potential IFN-inducers, and antiviral and cytostatic agents.

scientific article published on April 2004

Design, synthesis, and SAR analysis of novel selective sigma1 ligands.

scientific article

Design, synthesis, and biological evaluation of 1,3-diarylpropenones as dual inhibitors of HIV-1 reverse transcriptase.

scientific article

Detecting and understanding genetic and structural features in HIV-1 B subtype V3 underlying HIV-1 co-receptor usage

scientific article published on 6 January 2013

Discovery of New Chemical Entities for Old Targets: Insights on the Lead Optimization of Chromone-Based Monoamine Oxidase B (MAO-B) Inhibitors.

scientific article published on 31 May 2016

Discovery of PTPRJ agonist peptides that effectively inhibit in vitro cancer cell proliferation and tube formation

scientific article

Docking analysis and resistance evaluation of clinically relevant mutations associated with the HIV-1 non-nucleoside reverse transcriptase inhibitors nevirapine, efavirenz and etravirine

scientific article published on 27 September 2011

Docking experiments showing similar recognition patterns of paclitaxel when interacting with different macromolecular targets.

scientific article published in September 2003

Drug design, synthesis, in vitro and in silico evaluation of selective monoaminoxidase B inhibitors based on 3-acetyl-2-dichlorophenyl-5-aryl-2,3-dihydro-1,3,4-oxadiazole chemical scaffold.

scientific article

Exploring 4-substituted-2-thiazolylhydrazones from 2-, 3-, and 4-acetylpyridine as selective and reversible hMAO-B inhibitors.

scientific article

Exploring new structural features of the 4-[(3-methyl-4-aryl-2,3-dihydro-1,3-thiazol-2-ylidene)amino]benzenesulphonamide scaffold for the inhibition of human carbonic anhydrases

scientific article published on 01 December 2019

Fhit delocalizes annexin a4 from plasma membrane to cytosol and sensitizes lung cancer cells to paclitaxel

scientific article

Further studies on the interaction of the 5-hydroxytryptamine3 (5-HT3) receptor with arylpiperazine ligands. development of a new 5-HT3 receptor ligand showing potent acetylcholinesterase inhibitory properties

scientific article published in May 2005

GBPM: GRID-based pharmacophore model: concept and application studies to protein-protein recognition.

scientific article published on 27 March 2006

GRID-based three-dimensional pharmacophores II: PharmBench, a benchmark data set for evaluating pharmacophore elucidation methods

scientific article

Hit Identification of a Novel Dual Binder for h-telo/c-myc G-Quadruplex by a Combination of Pharmacophore Structure-Based Virtual Screening and Docking Refinement.

scientific article

Hit identification and biological evaluation of anticancer pyrazolopyrimidines endowed with anti-inflammatory activity.

scientific article published on August 2010

Homoisoflavonoids: natural scaffolds with potent and selective monoamine oxidase-B inhibition properties.

scientific article

Identification and characterization of new DNA G-quadruplex binders selected by a combination of ligand and structure-based virtual screening approaches

scientific article

Identification of G-quadruplex DNA/RNA binders: Structure-based virtual screening and biophysical characterization.

scientific article

Identification of new natural DNA G-quadruplex binders selected by a structure-based virtual screening approach.

scientific article

Identification of the stereochemical requirements in the 4-aryl-2-cycloalkylidenhydrazinylthiazole scaffold for the design of selective human monoamine oxidase B inhibitors

scientific article published on 05 April 2014

In silico identification and biological evaluation of novel selective serum/glucocorticoid-inducible kinase 1 inhibitors based on the pyrazolo-pyrimidine scaffold

scientific article

Investigations on the 2-thiazolylhydrazyne scaffold: synthesis and molecular modeling of selective human monoamine oxidase inhibitors.

scientific article published on 9 June 2010

Isolation and functional characterization of peptide agonists of PTPRJ, a tyrosine phosphatase receptor endowed with tumor suppressor activity

scientific article

Ligand binding to telomeric G-quadruplex DNA investigated by funnel-metadynamics simulations

scientific article published on 23 February 2017

Modeling and biological evaluation of 3,3'-(1,2-ethanediyl)bis[2-(4-methoxyphenyl)-thiazolidin-4-one], a new synthetic cyclooxygenase-2 inhibitor

scientific article

Molecular and structural aspects of clinically relevant mutations related to the approved non-nucleoside inhibitors of HIV-1 reverse transcriptase

scientific article published on 03 February 2011

Molecular dynamics and free energy studies on the wild-type and mutated HIV-1 protease complexed with four approved drugs: mechanism of binding and drug resistance.

scientific article

Molecular interaction fields in drug discovery: recent advances and future perspectives

Molecular modeling and enzymatic studies of the interaction of a choline analogue and acetylcholinesterase.

scientific article published in October 2002

Molecular modeling of DNA cross-linking analogues based on the azinomycin scaffold

scientific article published in May 2005

Molecular modeling, synthesis, and preliminary biological evaluation of glutathione-S-transferase inhibitors as potential therapeutic agents

scientific article

Molecular modelling and enzymatic studies of acetylcholinesterase and butyrylcholinesterase recognition with paraquat and related compounds

scientific article published on 01 July 2007

Molecular recognition of a carboxy pyridostatin toward G-quadruplex structures: Why does it prefer RNA?

scientific article

Monoamine oxidase isoform-dependent tautomeric influence in the recognition of 3,5-diaryl pyrazole inhibitors

scientific article

N-Methyl-N-((1-methyl-5-(3-(1-(2-methylbenzyl)piperidin-4-yl)propoxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine, a new cholinesterase and monoamine oxidase dual inhibitor.

scientific article published on 8 December 2014

New conformationally locked bicyclic N,O-nucleoside analogues of antiviral drugs.

scientific article published in February 2005

New insight into the central benzodiazepine receptor-ligand interactions: design, synthesis, biological evaluation, and molecular modeling of 3-substituted 6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepines and related compounds

scientific article published on 27 July 2011

Preclinical model in HCC: the SGK1 kinase inhibitor SI113 blocks tumor progression in vitro and in vivo and synergizes with radiotherapy

scientific article published on 8 October 2015

Preparation, characterization, molecular modeling and In vitro activity of paclitaxel–cyclodextrin complexes

scientific article published on 01 June 2002

Quercetin as the Active Principle ofHypericumhircinumExerts a Selective Inhibitory Activity against MAO-A: Extraction, Biological Analysis, and Computational Study

scientific article published on 01 June 2006

Rational design, synthesis, biophysical and antiproliferative evaluation of fluorenone derivatives with DNA G-quadruplex binding properties.

scientific article

SGK1, the New Player in the Game of Resistance: Chemo-Radio Molecular Target and Strategy for Inhibition

scientific article

SI113, a SGK1 inhibitor, potentiates the effects of radiotherapy, modulates the response to oxidative stress and induces cytotoxic autophagy in human glioblastoma multiforme cells

scientific article published on 19 February 2016

SI113, a specific inhibitor of the Sgk1 kinase activity that counteracts cancer cell proliferation.

scientific article

Selective inhibitory activity against MAO and molecular modeling studies of 2-thiazolylhydrazone derivatives

scientific article

Simple choline esters as potential anti-Alzheimer agents.

scientific article published in January 2010

State-of-the-art and dissemination of computational tools for drug-design purposes: a survey among Italian academics and industrial institutions

scientific article published on May 2013

Structural genetics of circulating variants affecting the SARS-CoV-2 spike/human ACE2 complex

scientific article published on 13 February 2021

Structure-based virtual screening of novel natural alkaloid derivatives as potential binders of h-telo and c-myc DNA G-quadruplex conformations.

scientific article published on 24 December 2014

Synthesis and Molecular Modelling of Novel Substituted-4,5-dihydro-(1H)-pyrazole Derivatives as Potent and Highly Selective Monoamine Oxidase-A Inhibitors

scientific article published on 01 March 2006

Synthesis and biological assessment of novel 2-thiazolylhydrazones and computational analysis of their recognition by monoamine oxidase B.

scientific article

Synthesis and biological evaluation of N-substituted-3,5-diphenyl-2-pyrazoline derivatives as cyclooxygenase (COX-2) inhibitors.

scientific article published on 25 October 2010

Synthesis and molecular modelling studies of prenylated pyrazolines as MAO-B inhibitors.

scientific article published on 17 September 2010

Synthesis and selective human monoamine oxidase inhibition of 3-carbonyl, 3-acyl, and 3-carboxyhydrazido coumarin derivatives.

scientific article

Synthesis, biological evaluation and 3D-QSAR of 1,3,5-trisubstituted-4,5-dihydro-(1H)-pyrazole derivatives as potent and highly selective monoamine oxidase A inhibitors.

scientific article

Synthesis, biological evaluation, and molecular modeling of oleuropein and its semisynthetic derivatives as cyclooxygenase inhibitors.

scientific article published in December 2009

Synthesis, molecular modeling studies and selective inhibitory activity against MAO of N1-propanoyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole derivatives.

scientific article

Synthesis, molecular modeling studies, and selective inhibitory activity against monoamine oxidase of 1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)- pyrazole derivatives

scientific article published on 17 November 2005

Synthesis, molecular modeling studies, and selective inhibitory activity against monoamine oxidase of N,N′-bis[2-oxo-2H-benzopyran]-3-carboxamides

scientific article published on 12 June 2006

Synthesis, molecular modeling, and selective inhibitory activity against human monoamine oxidases of 3-carboxamido-7-substituted coumarins

scientific article published in April 2009

Synthesis, semipreparative HPLC separation, biological evaluation, and 3D-QSAR of hydrazothiazole derivatives as human monoamine oxidase B inhibitors

scientific article published in June 2010

Synthesis, stereochemical identification, and selective inhibitory activity against human monoamine oxidase-B of 2-methylcyclohexylidene-(4-arylthiazol-2-yl)hydrazones

scientific article published on 31 July 2008

Targeting unimolecular G-quadruplex nucleic acids: a new paradigm for the drug discovery?

scientific article

Tetraplex DNA specific ligands based on the fluorenone-carboxamide scaffold

scientific article published on 09 February 2007

The betaI/betaIII-tubulin isoforms and their complexes with antimitotic agents. Docking and molecular dynamics studies

scientific article

The polymorphisms of DNA G-quadruplex investigated by docking experiments with telomestatin enantiomers.

scientific article published in January 2012

Theoretical Comparison between Structural and Dynamical Features of Dolastatins 11 and 12 Antineoplastic Depsipeptides

scientific article published in October 2003

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

scientific article published on 14 September 2007

Toward the design of new DNA G-quadruplex ligands through rational analysis of polymorphism and binding data

scientific article

Towards the Discovery of a Novel Class of Monoamine Oxidase Inhibitors: Structure-Property-Activity and Docking Studies on Chromone Amides

article

Unusually high enantioselectivity in high-performance liquid chromatography using cellulose tris(4-methylbenzoate) as a chiral stationary phase.

scientific article published on 9 April 2009