List of works - 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

scientific article published on 20 February 2015

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 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

scientific article published on 16 March 2011

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

scientific article published on 01 September 2003

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

scientific article published on 16 June 2011

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

scientific article published on 01 December 2020

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

scientific article

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

scientific article published in 2022

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

scientific article

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

scientific article published in January 2009

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

scientific article published on 27 September 2008

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

scientific article published on 19 July 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.

scientific article

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

scientific article published on January 2008

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

scientific article published on 15 January 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

scientific article published on 01 December 2019

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

scientific article published on 8 January 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

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

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

scientific article published on 01 March 2009

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

scientific article

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

scientific article

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.

scientific article published on 21 October 2016

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

scientific article published on 24 October 2016

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

scientific article

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.

scientific article published in August 2017

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

scientific article

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

scientific article

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

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

scientific article published on 17 October 2017

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

scientific article

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

scientific article

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

scientific article

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

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

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

scientific article

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

scientific article

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

scientific article published on 27 May 2007

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

scientific article published in June 2010

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

scientific article published on 06 June 2018

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

scientific article

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

scientific article published in January 2012

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

scientific article published on December 2017

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

scientific article published on 17 September 2018

List of works by 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