Lista de obras - Simona Distinto - Dominio Público Uruguay

(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

artículo científico publicado en 2015

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

artículo científico publicado en 2011

A Novel Series of 3,4-Disubstituted Dihydropyrazoles: Synthesis and Evaluation for MAO Enzyme Inhibition

Alizarine derivatives as new dual inhibitors of the HIV-1 reverse transcriptase-associated DNA polymerase and RNase H activities effective also on the RNase H activity of non-nucleoside resistant reverse transcriptases

artículo científico publicado en 2011

An investigation of the biological effect of structural modifications of isothiosemicarbazones and their cyclic analogues

artículo científico publicado en 2003

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

artículo científico publicado en 2011

Coumarins from Magydaris pastinacea as inhibitors of the tumour-associated carbonic anhydrases IX and XII: isolation, biological studies and in silico evaluation

artículo científico publicado en 2020

Critical comparison of virtual screening methods against the MUV data set.

artículo científico publicado en 2009

Cynarin blocks Ebola virus replication by counteracting VP35 inhibition of interferon-beta production

artículo científico publicado en 2022

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

artículo científico publicado en 2017

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

artículo científico publicado en 2014

Discovery of novel CB2 receptor ligands by a pharmacophore-based virtual screening workflow

artículo científico publicado en 2009

Discovery of novel PPAR ligands by a virtual screening approach based on pharmacophore modeling, 3D shape, and electrostatic similarity screening

artículo científico publicado en 2008

Discovery of novel cathepsin S inhibitors by pharmacophore-based virtual high-throughput screening

artículo científico publicado en 2008

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

artículo científico publicado en 2015

Enhancing drug discovery through in silico screening: strategies to increase true positives retrieval rates.

artículo científico publicado en 2008

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection--what can we learn from earlier mistakes?

artículo científico publicado en 2008

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

artículo científico publicado en 2019

Exploring the thiazole scaffold for the identification of new agents for the treatment of fluconazole resistant Candida.

artículo científico publicado en 2016

Ferulic Acid Esters and Withanolides: In Search of Withania somnifera GABAA Receptor Modulators

scientific article published on 18 April 2019

From cycloheptathiophene-3-carboxamide to oxazinone-based derivatives as allosteric HIV-1 ribonuclease H inhibitors

article

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

artículo científico publicado en 2012

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.

artículo científico publicado en 2016

How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information

artículo científico publicado en 2009

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

artículo científico publicado en 2016

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

artículo científico publicado en 2012

Identification of Myricetin as Ebolavirus VP35-dsRNA interaction inhibitor through a novel fluorescence-based assay

article

Investigating the Anticancer Activity of Isatin/Dihydropyrazole Hybrids

scientific article published on 18 December 2018

Isatin thiazoline hybrids as dual inhibitors of HIV-1 reverse transcriptase.

artículo científico publicado en 2016

Isatin: a privileged scaffold for the design of carbonic anhydrase inhibitors.

artículo científico publicado en 2016

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

artículo científico publicado en 2015

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

Multi-target activity of Hemidesmus indicus decoction against innovative HIV-1 drug targets and characterization of Lupeol mode of action.

artículo científico publicado en 2017

N-Acylbenzenesulfonamide Dihydro-1,3,4-oxadiazole Hybrids: Seeking Selectivity toward Carbonic Anhydrase Isoforms.

artículo científico publicado en 2017

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

artículo científico publicado en 2013

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

artículo científico publicado en 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

artículo científico publicado en 2015

Phenylpropenoids from Bupleurum fruticosum as Anti-Human Rhinovirus Species A Selective Capsid Binders

artículo científico publicado en 2017

Predicting Cyclooxygenase Inhibition by Three-Dimensional Pharmacophoric Profiling. Part I: Model Generation, Validation and Applicability in Ethnopharmacology

artículo científico publicado en 2010

Ribonuclease H/DNA Polymerase HIV-1 Reverse Transcriptase Dual Inhibitor: Mechanistic Studies on the Allosteric Mode of Action of Isatin-Based Compound RMNC6

artículo científico publicado en 2016

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

artículo científico publicado en 2007

Sennoside A, derived from the traditional chinese medicine plant Rheum L., is a new dual HIV-1 inhibitor effective on HIV-1 replication

artículo científico publicado en 2016

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

artículo científico publicado en 2014

Studies on Cycloheptathiophene-3-carboxamide Derivatives as Allosteric HIV-1 Ribonuclease H Inhibitors.

artículo científico publicado en 2016

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

artículo científico publicado en 2011

Synthesis and in vitro activity of 2-thiazolylhydrazone derivatives compared with the activity of clotrimazole against clinical isolates of Candida spp.

artículo científico publicado en 2007

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

artículo científico publicado en 2010

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

artículo científico publicado en 2010

Targeting Tumor Associated Carbonic Anhydrases IX and XII: Highly Isozyme Selective Coumarin and Psoralen Inhibitors

artículo científico publicado en 2018

The Protein Data Bank (PDB), its related services and software tools as key components for in silico guided drug discovery

artículo científico publicado en 2008

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

artículo científico publicado en 2012

Through scaffold modification to 3,5-diaryl-4,5-dihydroisoxazoles: new potent and selective inhibitors of monoamine oxidase B.

artículo científico publicado en 2017

Tuning the Dual Inhibition of Carbonic Anhydrase and Cyclooxygenase by Dihydrothiazole Benzensulfonamides

artículo científico publicado en 2018

Lista de obras de Simona Distinto

(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

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

A Novel Series of 3,4-Disubstituted Dihydropyrazoles: Synthesis and Evaluation for MAO Enzyme Inhibition

Alizarine derivatives as new dual inhibitors of the HIV-1 reverse transcriptase-associated DNA polymerase and RNase H activities effective also on the RNase H activity of non-nucleoside resistant reverse transcriptases

An investigation of the biological effect of structural modifications of isothiosemicarbazones and their cyclic analogues

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

Coumarins from Magydaris pastinacea as inhibitors of the tumour-associated carbonic anhydrases IX and XII: isolation, biological studies and in silico evaluation

Critical comparison of virtual screening methods against the MUV data set.

Cynarin blocks Ebola virus replication by counteracting VP35 inhibition of interferon-beta production

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

Discovery of novel CB2 receptor ligands by a pharmacophore-based virtual screening workflow

Discovery of novel PPAR ligands by a virtual screening approach based on pharmacophore modeling, 3D shape, and electrostatic similarity screening

Discovery of novel cathepsin S inhibitors by pharmacophore-based virtual high-throughput screening

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

Enhancing drug discovery through in silico screening: strategies to increase true positives retrieval rates.

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection--what can we learn from earlier mistakes?

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

Exploring the thiazole scaffold for the identification of new agents for the treatment of fluconazole resistant Candida.

Ferulic Acid Esters and Withanolides: In Search of Withania somnifera GABAA Receptor Modulators

From cycloheptathiophene-3-carboxamide to oxazinone-based derivatives as allosteric HIV-1 ribonuclease H inhibitors

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

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.

How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information

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

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

Identification of Myricetin as Ebolavirus VP35-dsRNA interaction inhibitor through a novel fluorescence-based assay

Investigating the Anticancer Activity of Isatin/Dihydropyrazole Hybrids

Isatin thiazoline hybrids as dual inhibitors of HIV-1 reverse transcriptase.

Isatin: a privileged scaffold for the design of carbonic anhydrase inhibitors.

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

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

Multi-target activity of Hemidesmus indicus decoction against innovative HIV-1 drug targets and characterization of Lupeol mode of action.

N-Acylbenzenesulfonamide Dihydro-1,3,4-oxadiazole Hybrids: Seeking Selectivity toward Carbonic Anhydrase Isoforms.

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

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

Phenylpropenoids from Bupleurum fruticosum as Anti-Human Rhinovirus Species A Selective Capsid Binders

Predicting Cyclooxygenase Inhibition by Three-Dimensional Pharmacophoric Profiling. Part I: Model Generation, Validation and Applicability in Ethnopharmacology

Ribonuclease H/DNA Polymerase HIV-1 Reverse Transcriptase Dual Inhibitor: Mechanistic Studies on the Allosteric Mode of Action of Isatin-Based Compound RMNC6

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

Sennoside A, derived from the traditional chinese medicine plant Rheum L., is a new dual HIV-1 inhibitor effective on HIV-1 replication

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

Studies on Cycloheptathiophene-3-carboxamide Derivatives as Allosteric HIV-1 Ribonuclease H Inhibitors.

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

Synthesis and in vitro activity of 2-thiazolylhydrazone derivatives compared with the activity of clotrimazole against clinical isolates of Candida spp.

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

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

Targeting Tumor Associated Carbonic Anhydrases IX and XII: Highly Isozyme Selective Coumarin and Psoralen Inhibitors

The Protein Data Bank (PDB), its related services and software tools as key components for in silico guided drug discovery

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

Through scaffold modification to 3,5-diaryl-4,5-dihydroisoxazoles: new potent and selective inhibitors of monoamine oxidase B.

Tuning the Dual Inhibition of Carbonic Anhydrase and Cyclooxygenase by Dihydrothiazole Benzensulfonamides