List of works - Stefano Alcaro

(3Z)-3-(2-[4-(aryl)-1,3-thiazol-2-yl]hydrazin-1-ylidene)-2,3-dihydro-1H-indol-2-one derivatives as dual inhibitors of HIV-1 reverse transcriptase

scientific article published on 20 February 2015

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

scientific article published on 15 November 2012

3-Acetyl-2,5-diaryl-2,3-dihydro-1,3,4-oxadiazoles: a new scaffold for the selective inhibition of monoamine oxidase B.

scientific article

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 chromatographic study on the exceptional enantioselectivity of cellulose tris(4-methylbenzoate) towards C5-chiral 4,5-dihydro-(1H)-pyrazole derivatives

scientific article published on 30 June 2011

A drug repurposing screening reveals a novel epigenetic activity of hydroxychloroquine

scientific article published on 17 September 2019

A molecular model for DNA cross-linking by the antitumor agent azinomycin B

scientific article published on 01 July 2000

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

scientific article published on 4 January 2010

ABCC Transporters Mediate the Vacuolar Accumulation of Crocins in Saffron Stigmas

scientific article published on 23 September 2019

AMBER force field implementation of the boronate function to simulate the inhibition of beta-lactamases by alkyl and aryl boronic acids.

scientific article

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

Aryl ethynyl anthraquinones: a useful platform for targeting telomeric G-quadruplex structures.

scientific article

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

Bioactive compounds of Crocus sativus L. and their semi-synthetic derivatives as promising anti-Helicobacter pylori, anti-malarial and anti-leishmanial agents

scientific article published on 13 March 2015

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)

Characterization and structural analysis of novel mutations in human immunodeficiency virus type 1 reverse transcriptase involved in the regulation of resistance to nonnucleoside inhibitors

scientific article

Chiral arylpyrrolidinols: preparation and biological profile

scientific article published on 01 May 2005

Chromenone derivatives as a versatile scaffold with dual mode of inhibition of HIV-1 reverse transcriptase-associated Ribonuclease H function and integrase activity

scientific article published on 12 August 2019

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

Conformation and stability of intramolecular telomeric G-quadruplexes: sequence effects in the loops

scientific article

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

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 antiviral evaluation of novel heteroarylcarbothioamide derivatives as dual inhibitors of HIV-1 reverse transcriptase-associated RNase H and RDDP functions.

scientific article published on August 2017

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

Different evolution of genotypic resistance profiles to emtricitabine versus lamivudine in tenofovir-containing regimens

scientific article published on November 2010

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

Effect of maraviroc on non-R5 tropic HIV-1: refined analysis of subjects from the phase IIb study A4001029.

scientific article

Effect of the human immunodeficiency virus type 1 reverse transcriptase polymorphism Leu-214 on replication capacity and drug susceptibility.

scientific article published on 20 May 2009

Enantioselective recognition of 2,3-benzodiazepin-4-one derivatives with anticonvulsant activity on several polysaccharide chiral stationary phases

scientific article published on 24 May 2006

Exploration of ligand binding modes towards the identification of compounds targeting HuR: a combined STD-NMR and Molecular Modelling approach

scientific article published in Scientific Reports

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

Folding intermediate states of the parallel human telomeric G-quadruplex DNA explored using Well-Tempered Metadynamics

scientific article published on 21 February 2020

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

HCV genotypes are differently prone to the development of resistance to linear and macrocyclic protease inhibitors

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

Hybrid ligand-alkylating agents targeting telomeric G-quadruplex structures.

scientific article

Identification and structural characterization of novel genetic elements in the HIV-1 V3 loop regulating coreceptor usage

scientific article published in January 2011

Identification of HIV-1 reverse transcriptase dual inhibitors by a combined shape-, 2D-fingerprint- and pharmacophore-based virtual screening approach.

scientific article

Identification of a rare mutation at reverse transcriptase Lys65 (K65E) in HIV-1-infected patients failing on nucleos(t)ide reverse transcriptase inhibitors

scientific article published on 7 June 2013

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

Incomplete APOBEC3G/F Neutralization by HIV-1 Vif Mutants Facilitates the Genetic Evolution from CCR5 to CXCR4 Usage

scientific article published on 8 June 2015

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

Macrocyclic naphthalene diimides as G-quadruplex binders

scientific article published on 11 April 2015

Methoxyflavones from Stachys glutinosa with binding affinity to opioid receptors: in silico, in vitro, and in vivo studies.

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

scientific article published on 01 July 2007

Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors

scholarly article by Joana Reis et al published October 2018 in European Journal of Medicinal Chemistry

N-Alkyl dien- and trienamides from the roots of Otanthus maritimus with binding affinity for opioid and cannabinoid receptors

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

Natural product-inspired esters and amides of ferulic and caffeic acid as dual inhibitors of HIV-1 reverse transcriptase

scientific article published on 24 February 2017

New 4-[(3-cyclohexyl-4-aryl-2,3-dihydro-1,3-thiazol-2-ylidene)amino]benzene-1-sulfonamides, synthesis and inhibitory activity toward carbonic anhydrase I, II, IX, XII

scientific article published on 30 May 2015

New Structure–Activity Relationships of A- and D-Ring Modified Steroidal Aromatase Inhibitors: Design, Synthesis, and Biochemical Evaluation

scientific article published on 18 April 2012

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

New raltegravir resistance pathways induce broad cross-resistance to all currently used integrase inhibitors

scientific article published on 7 April 2014

New resistance mutations to nucleoside reverse transcriptase inhibitors at codon 184 of HIV-1 reverse transcriptase (M184L and M184T)

scientific article published on 27 November 2018

Pathway involving the N155H mutation in HIV-1 integrase leads to dolutegravir resistance

scientific article published on 24 January 2018

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

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

Specific HIV-1 integrase polymorphisms change their prevalence in untreated versus antiretroviral-treated HIV-1-infected patients, all naive to integrase inhibitors

scientific article published on 3 September 2010

Specific enfuvirtide-associated mutational pathways in HIV-1 Gp41 are significantly correlated with an increase in CD4(+) cell count, despite virological failure

scientific article published in May 2008

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 modifications induced by specific HIV-1 protease-compensatory mutations have an impact on the virological response to a first-line lopinavir/ritonavir-containing regimen

scientific article published on 17 May 2013

Structure-activity relationships of novel substituted naphthalene diimides as anticancer agents

scientific article

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

scientific article published on 17 September 2010

Synthesis and pharmacological evaluation of new N-methyl-arylpyrrolidinols with analgesic activity

scientific article published on 01 September 2003

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

scientific article

Synthesis of new 3-aryl-4,5-dihydropyrazole-1-carbothioamide derivatives. An investigation on their ability to inhibit monoamine oxidase.

scientific article published on 17 July 2010

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 N,N′-bis[2-oxo-2H-benzopyran]-3-carboxamides

scientific article published on 12 June 2006

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

scientific article published in June 2010

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 chemistry toolbox of multitarget-directed ligands for Alzheimer's disease

scientific article published on 01 August 2019

The impact of the G-quadruplex conformation in the development of novel therapeutic and diagnostic agents

scientific article published on 01 January 2012

The mechanisms of pharmacokinetic food-drug interactions - A perspective from the UNGAP group

scientific article published on 08 April 2019

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

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

List of works by Stefano Alcaro

(3Z)-3-(2-[4-(aryl)-1,3-thiazol-2-yl]hydrazin-1-ylidene)-2,3-dihydro-1H-indol-2-one derivatives as dual inhibitors of HIV-1 reverse transcriptase

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

3-Acetyl-2,5-diaryl-2,3-dihydro-1,3,4-oxadiazoles: a new scaffold for the selective inhibition of monoamine oxidase B.

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

A chromatographic study on the exceptional enantioselectivity of cellulose tris(4-methylbenzoate) towards C5-chiral 4,5-dihydro-(1H)-pyrazole derivatives

A drug repurposing screening reveals a novel epigenetic activity of hydroxychloroquine

A molecular model for DNA cross-linking by the antitumor agent azinomycin B

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

ABCC Transporters Mediate the Vacuolar Accumulation of Crocins in Saffron Stigmas

AMBER force field implementation of the boronate function to simulate the inhibition of beta-lactamases by alkyl and aryl boronic acids.

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

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

Aryl ethynyl anthraquinones: a useful platform for targeting telomeric G-quadruplex structures.

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

Bioactive compounds of Crocus sativus L. and their semi-synthetic derivatives as promising anti-Helicobacter pylori, anti-malarial and anti-leishmanial agents

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

Chalcones: a valid scaffold for monoamine oxidases inhibitors

Characterization and structural analysis of novel mutations in human immunodeficiency virus type 1 reverse transcriptase involved in the regulation of resistance to nonnucleoside inhibitors

Chiral arylpyrrolidinols: preparation and biological profile

Chromenone derivatives as a versatile scaffold with dual mode of inhibition of HIV-1 reverse transcriptase-associated Ribonuclease H function and integrase activity

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

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

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

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

Conformation and stability of intramolecular telomeric G-quadruplexes: sequence effects in the loops

Conformational search of antisense nucleotides

Conformational search of antisense nucleotides. Part 2

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

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

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

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

Design, synthesis and antiviral evaluation of novel heteroarylcarbothioamide derivatives as dual inhibitors of HIV-1 reverse transcriptase-associated RNase H and RDDP functions.

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

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

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

Different evolution of genotypic resistance profiles to emtricitabine versus lamivudine in tenofovir-containing regimens

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

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

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

Effect of maraviroc on non-R5 tropic HIV-1: refined analysis of subjects from the phase IIb study A4001029.

Effect of the human immunodeficiency virus type 1 reverse transcriptase polymorphism Leu-214 on replication capacity and drug susceptibility.

Enantioselective recognition of 2,3-benzodiazepin-4-one derivatives with anticonvulsant activity on several polysaccharide chiral stationary phases

Exploration of ligand binding modes towards the identification of compounds targeting HuR: a combined STD-NMR and Molecular Modelling approach

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

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

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

Folding intermediate states of the parallel human telomeric G-quadruplex DNA explored using Well-Tempered Metadynamics

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

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

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

HCV genotypes are differently prone to the development of resistance to linear and macrocyclic protease inhibitors

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

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

Hybrid ligand-alkylating agents targeting telomeric G-quadruplex structures.

Identification and structural characterization of novel genetic elements in the HIV-1 V3 loop regulating coreceptor usage

Identification of HIV-1 reverse transcriptase dual inhibitors by a combined shape-, 2D-fingerprint- and pharmacophore-based virtual screening approach.

Identification of a rare mutation at reverse transcriptase Lys65 (K65E) in HIV-1-infected patients failing on nucleos(t)ide reverse transcriptase inhibitors

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

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

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

Incomplete APOBEC3G/F Neutralization by HIV-1 Vif Mutants Facilitates the Genetic Evolution from CCR5 to CXCR4 Usage

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

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

Macrocyclic naphthalene diimides as G-quadruplex binders

Methoxyflavones from Stachys glutinosa with binding affinity to opioid receptors: in silico, in vitro, and in vivo studies.

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

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.

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.

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

Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors

N-Alkyl dien- and trienamides from the roots of Otanthus maritimus with binding affinity for opioid and cannabinoid receptors

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.

Natural product-inspired esters and amides of ferulic and caffeic acid as dual inhibitors of HIV-1 reverse transcriptase

New 4-[(3-cyclohexyl-4-aryl-2,3-dihydro-1,3-thiazol-2-ylidene)amino]benzene-1-sulfonamides, synthesis and inhibitory activity toward carbonic anhydrase I, II, IX, XII

New Structure–Activity Relationships of A- and D-Ring Modified Steroidal Aromatase Inhibitors: Design, Synthesis, and Biochemical Evaluation

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

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

New raltegravir resistance pathways induce broad cross-resistance to all currently used integrase inhibitors