List of works - Simone Brogi

(S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements, Structural and Biological Investigation

scientific article published on 16 February 2018

0365: Non-peptidic prokineticin receptor 1 agonist as a novel cardioprotective therapeutic

3D-QSAR using pharmacophore-based alignment and virtual screening for discovery of novel MCF-7 cell line inhibitors

scientific article published on July 2013

A Jocic-type approach for a practical and scalable synthesis of pyrrolonaphthoxazepine (PNOX)-based potent proapoptotic agents

A Repurposing Approach for Uncovering the Anti-Tubercular Activity of FDA-Approved Drugs with Potential Multi-Targeting Profiles

scientific article published on 29 November 2019

A stereoselective approach to peptidomimetic BACE1 inhibitors.

scientific article published on 6 October 2013

Activation of the Wnt Pathway by Small Peptides: Rational Design, Synthesis and Biological Evaluation.

scientific article published on 13 November 2017

Allosteric Modulation of Ionotropic Glutamate Receptors: An Outlook on New Therapeutic Approaches To Treat Central Nervous System Disorders

scientific article published on 23 January 2019

Amyloid β fibril disruption by oleuropein aglycone: long-time molecular dynamics simulation to gain insight into the mechanism of action of this polyphenol from extra virgin olive oil

scientific article published on 28 August 2020

Anti-inflammatory and antiviral roles of hydrogen sulfide: rationale for considering H2 S-donors in COVID-19 therapy

scientific article published on 11 August 2020

Antimalarial agents against both sexual and asexual parasites stages: structure-activity relationships and biological studies of the Malaria Box compound 1-[5-(4-bromo-2-chlorophenyl)furan-2-yl]-N-[(piperidin-4-yl)methyl]methanamine (MMV019918) and a

scholarly article by Alessandra Vallone et al published 25 April 2018 in European Journal of Medicinal Chemistry

Breakthroughs in Computational Approaches for Drug Discovery

Characterization of COR627 and COR628, two novel positive allosteric modulators of the GABA(B) receptor.

scientific article published on 30 November 2011

Cinnamic acids derived compounds with antileishmanial activity target Leishmania amazonensis arginase

scientific article published on 10 October 2018

Cinnamides Target Leishmania amazonensis Arginase Selectively

scientific article published on 12 November 2020

Computational Tool for Fast in silico Evaluation of hERG K+ Channel Affinity

scientific article published on 23 February 2017

Computer-Driven Development of an in Silico Tool for Finding Selective Histone Deacetylase 1 Inhibitors

scientific article published on 22 April 2020

Correction to Novel Analgesic/Anti-Inflammatory Agents: 1,5-Diarylpyrrole Nitrooxyalkyl Ethers and Related Compounds as Cyclooxygenase-2 Inhibiting Nitric Oxide Donors

Design, synthesis, and pharmacological characterization of indol-3-ylacetamides, indol-3-yloxoacetamides, and indol-3-ylcarboxamides: potent and selective CB2 cannabinoid receptor inverse agonists.

scientific article published on 16 May 2012

Development and Pharmacological Characterization of Selective Blockers of 2-Arachidonoyl Glycerol Degradation with Efficacy in Rodent Models of Multiple Sclerosis and Pain

scientific article

Development of HuperTacrines as Non-Toxic, Cholinesterase Inhibitors for the Potential Treatment of Alzheimer’s Disease

article

Development of In Vitro Corneal Models: Opportunity for Pharmacological Testing

scientific article published on 02 November 2020

Development of Potent Inhibitors of Fatty Acid Amide Hydrolase Useful for the Treatment of Neuropathic Pain

scholarly article by Margherita Brindisi et al published 30 August 2018 in ChemMedChem

Development of Potent Inhibitors of the Mycobacterium tuberculosis Virulence Factor Zmp1 and Evaluation of Their Effect on Mycobacterial Survival inside Macrophages

scientific article published on 15 January 2018

Development of a practical and scalable route for the preparation of the deacetoxytubuvaline (dTuv) fragment of pretubulysin and analogs

Development of novel cyclic peptides as pro-apoptotic agents

scientific article published on 5 April 2016

Development of novel multipotent compounds modulating endocannabinoid and dopaminergic systems

scientific article published on 04 September 2019

Dietary polyphenols rutin, taxifolin and quercetin related compounds target Leishmania amazonensis arginase

scientific article published on 01 June 2019

Discovery and cardioprotective effects of the first non-Peptide agonists of the G protein-coupled prokineticin receptor-1

scientific article

Discovery of GPCR ligands for probing signal transduction pathways

scientific article

Discovery of Iminobenzimidazole Derivatives as Novel Cytotoxic Agents

scholarly article by Nora Chouha et al published 31 August 2018 in The open medicinal chemistry journal

Disease-modifying anti-Alzheimer's drugs: inhibitors of human cholinesterases interfering with β-amyloid aggregation.

scientific article

Donepezil-like multifunctional agents: Design, synthesis, molecular modeling and biological evaluation

scientific article published on 9 October 2015

Dopamine D3 Receptor Antagonists as Potential Therapeutics for the Treatment of Neurological Diseases

scientific article

Exploring clotrimazole-based pharmacophore: 3D-QSAR studies and synthesis of novel antiplasmodial agents

scientific article published on 5 September 2015

First dual AK/GSK-3β inhibitors endowed with antioxidant properties as multifunctional, potential neuroprotective agents

scientific article published on 9 June 2017

From (+)-epigallocatechin gallate to a simplified synthetic analogue as a cytoadherence inhibitor for P. falciparum

scholarly article in RSC Advances, vol. 4 no. 9, 2014

Globospiramine from Voacanga globosa Exerts Robust Cytotoxic and Antiproliferative Activities on Cancer Cells by Inducing Caspase-Dependent Apoptosis in A549 Cells and Inhibiting MAPK14 (p38α): In Vitro and Computational Investigations

scientific article published in 2024

HCV-targeted antivirals: current status and future challenges

scientific article published on January 2014

Harnessing the pyrroloquinoxaline scaffold for FAAH and MAGL interaction: definition of the structural determinants for enzyme inhibition

scholarly article in RSC Advances, vol. 6 no. 69, 2016

Identification of novel fluorescent probes preventing PrPSc replication in prion diseases

scientific article published on November 2016

In Silico Analysis of Peptide-Based Derivatives Containing Bifunctional Warheads Engaging Prime and Non-Prime Subsites to Covalent Binding SARS-CoV-2 Main Protease (Mpro)

scientific article published in 2022

In Vitro and In Silico Analyses of New Cinnamid and Rosmarinic Acid-Derived Compounds Biosynthesized in Escherichia coli as Leishmania amazonensis Arginase Inhibitors

scientific article published in 2022

In silico analysis of RNA-dependent RNA polymerase of the SARS-CoV-2 and therapeutic potential of existing antiviral drugs

scientific article published on 23 June 2021

In silico study of subtilisin-like protease 1 (SUB1) from different Plasmodium species in complex with peptidyl-difluorostatones and characterization of potent pan-SUB1 inhibitors

scientific article published on 19 January 2016

MicroRNA-Based Multitarget Approach for Alzheimer's Disease: Discovery of the First-In-Class Dual Inhibitor of Acetylcholinesterase and MicroRNA-15b Biogenesis

scientific article published on 06 August 2020

Mimicking the intramolecular hydrogen bond: synthesis, biological evaluation, and molecular modeling of benzoxazines and quinazolines as potential antimalarial agents.

scientific article

Multifunctional cholinesterase and amyloid Beta fibrillization modulators. Synthesis and biological investigation

scientific article

Multitarget compounds bearing tacrine- and donepezil-like structural and functional motifs for the potential treatment of Alzheimer's disease

scientific article

Novel analgesic/anti-inflammatory agents: 1,5-diarylpyrrole nitrooxyalkyl ethers and related compounds as cyclooxygenase-2 inhibiting nitric oxide donors

scientific article published on 11 April 2013

Novel spiroindoline HDAC inhibitors: Synthesis, molecular modelling and biological studies

scientific article published on 31 July 2018

Off-target ACE2 ligands: possible therapeutic option for CoVid-19?

scientific article published on 02 May 2020

Old but Gold: Tracking the New Guise of Histone Deacetylase 6 (HDAC6) Enzyme as a Biomarker and Therapeutic Target in Rare Diseases

scientific article published on 27 August 2019

Optimization of 4-aminoquinoline/clotrimazole-based hybrid antimalarials: further structure-activity relationships, in vivo studies, and preliminary toxicity profiling

scientific article

Pharmacophore modeling for qualitative prediction of antiestrogenic activity

scientific article published on November 2009

Phenylpyrrole-based HDAC inhibitors: synthesis, molecular modeling and biological studies

scientific article published on 24 August 2016

Plasmodium falciparum subtilisin-like protease 1: discovery of potent difluorostatone-based inhibitors

scholarly article in RSC Advances, vol. 5 no. 29, 2015

Polypharmacology of dopamine receptor ligands.

scientific article published on 24 May 2016

Quinolylhydrazones as novel inhibitors of Plasmodium falciparum serine protease PfSUB1.

scientific article

Rational design of the first difluorostatone-based PfSUB1 inhibitors

scientific article published on 23 May 2014

Screening and Phenotypical Characterization of Schistosoma mansoni Histone Deacetylase 8 (SmHDAC8) Inhibitors as Multistage Antischistosomal Agents

scientific article published on 12 November 2019

Structural characterization of Giardia duodenalis thioredoxin reductase (gTrxR) and computational analysis of its interaction with NBDHEX.

scientific article published on 24 April 2017

Structure-based discovery of the first non-covalent inhibitors of Leishmania major tryparedoxin peroxidase by high throughput docking

scientific article published on 7 May 2015

Synthesis and Antiplasmodial Activity of Bicyclic Dioxanes as Simplified Dihydroplakortin Analogues

scientific article published on 29 July 2011

Synthesis and Biological Evaluation of Novel Neuroprotective Pyridazine Derivatives as Excitatory Amino Acid Transporter 2 (EAAT2) Activators

scientific article published on 19 May 2017

Synthesis and biological evaluation of a new class of benzothiazines as neuroprotective agents

scientific article published on 27 November 2016

Synthesis and biological evaluation of fluorinated 1,5-diarylpyrrole-3-alkoxyethyl ether derivatives as selective COX-2 inhibitors endowed with anti-inflammatory activity

scientific article published on 28 December 2015

Synthesis and structure-activity relationship studies in serotonin 5-HT(1A) receptor agonists based on fused pyrrolidone scaffolds

scientific article published on 8 February 2013

Synthetic spirocyclic endoperoxides: new antimalarial scaffolds

Synthetic studies toward bicyclic endoperoxides presenting polar side chains

Targeting clinically-relevant metallo-β-lactamases: from high-throughput docking to broad-spectrum inhibitors.

scientific article

Targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors for developing effective antipsychotics: synthesis, biological characterization, and behavioral studies

scientific article published on 7 November 2014

Tetrahydrofuran acetogenins from Laurencia glandulifera

scientific article published in February 2009

The Citrus Flavonoid Naringenin Protects the Myocardium from Ageing-Dependent Dysfunction: Potential Role of SIRT1

scientific article published on 25 January 2020

The structural evolution of β-secretase inhibitors: a focus on the development of small-molecule inhibitors

scientific article published on January 2013

Three-dimensional quantitative structure-selectivity relationships analysis guided rational design of a highly selective ligand for the cannabinoid receptor 2.

scientific article

Verbascoside Inhibits Promastigote Growth and Arginase Activity of Leishmania amazonensis

scientific article published on 20 April 2016

iPSC-derived neurons profiling reveals GABAergic circuit disruption and acetylated α-tubulin defect which improves after iHDAC6 treatment in Rett syndrome

scientific article published on 04 May 2018

List of works by Simone Brogi

(S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements, Structural and Biological Investigation

0365: Non-peptidic prokineticin receptor 1 agonist as a novel cardioprotective therapeutic

3D-QSAR using pharmacophore-based alignment and virtual screening for discovery of novel MCF-7 cell line inhibitors

A Jocic-type approach for a practical and scalable synthesis of pyrrolonaphthoxazepine (PNOX)-based potent proapoptotic agents

A Repurposing Approach for Uncovering the Anti-Tubercular Activity of FDA-Approved Drugs with Potential Multi-Targeting Profiles

A stereoselective approach to peptidomimetic BACE1 inhibitors.

Activation of the Wnt Pathway by Small Peptides: Rational Design, Synthesis and Biological Evaluation.

Allosteric Modulation of Ionotropic Glutamate Receptors: An Outlook on New Therapeutic Approaches To Treat Central Nervous System Disorders

Amyloid β fibril disruption by oleuropein aglycone: long-time molecular dynamics simulation to gain insight into the mechanism of action of this polyphenol from extra virgin olive oil

Anti-inflammatory and antiviral roles of hydrogen sulfide: rationale for considering H2 S-donors in COVID-19 therapy

Antimalarial agents against both sexual and asexual parasites stages: structure-activity relationships and biological studies of the Malaria Box compound 1-[5-(4-bromo-2-chlorophenyl)furan-2-yl]-N-[(piperidin-4-yl)methyl]methanamine (MMV019918) and a

Breakthroughs in Computational Approaches for Drug Discovery

Characterization of COR627 and COR628, two novel positive allosteric modulators of the GABA(B) receptor.

Cinnamic acids derived compounds with antileishmanial activity target Leishmania amazonensis arginase

Cinnamides Target Leishmania amazonensis Arginase Selectively

Computational Tool for Fast in silico Evaluation of hERG K+ Channel Affinity

Computer-Driven Development of an in Silico Tool for Finding Selective Histone Deacetylase 1 Inhibitors

Correction to Novel Analgesic/Anti-Inflammatory Agents: 1,5-Diarylpyrrole Nitrooxyalkyl Ethers and Related Compounds as Cyclooxygenase-2 Inhibiting Nitric Oxide Donors

Design, synthesis, and pharmacological characterization of indol-3-ylacetamides, indol-3-yloxoacetamides, and indol-3-ylcarboxamides: potent and selective CB2 cannabinoid receptor inverse agonists.

Development and Pharmacological Characterization of Selective Blockers of 2-Arachidonoyl Glycerol Degradation with Efficacy in Rodent Models of Multiple Sclerosis and Pain

Development of HuperTacrines as Non-Toxic, Cholinesterase Inhibitors for the Potential Treatment of Alzheimer’s Disease

Development of In Vitro Corneal Models: Opportunity for Pharmacological Testing

Development of Potent Inhibitors of Fatty Acid Amide Hydrolase Useful for the Treatment of Neuropathic Pain

Development of Potent Inhibitors of the Mycobacterium tuberculosis Virulence Factor Zmp1 and Evaluation of Their Effect on Mycobacterial Survival inside Macrophages

Development of a practical and scalable route for the preparation of the deacetoxytubuvaline (dTuv) fragment of pretubulysin and analogs

Development of novel cyclic peptides as pro-apoptotic agents

Development of novel multipotent compounds modulating endocannabinoid and dopaminergic systems

Dietary polyphenols rutin, taxifolin and quercetin related compounds target Leishmania amazonensis arginase

Discovery and cardioprotective effects of the first non-Peptide agonists of the G protein-coupled prokineticin receptor-1

Discovery of GPCR ligands for probing signal transduction pathways

Discovery of Iminobenzimidazole Derivatives as Novel Cytotoxic Agents

Disease-modifying anti-Alzheimer's drugs: inhibitors of human cholinesterases interfering with β-amyloid aggregation.

Donepezil-like multifunctional agents: Design, synthesis, molecular modeling and biological evaluation

Dopamine D3 Receptor Antagonists as Potential Therapeutics for the Treatment of Neurological Diseases

Exploring clotrimazole-based pharmacophore: 3D-QSAR studies and synthesis of novel antiplasmodial agents

First dual AK/GSK-3β inhibitors endowed with antioxidant properties as multifunctional, potential neuroprotective agents

From (+)-epigallocatechin gallate to a simplified synthetic analogue as a cytoadherence inhibitor for P. falciparum

Globospiramine from Voacanga globosa Exerts Robust Cytotoxic and Antiproliferative Activities on Cancer Cells by Inducing Caspase-Dependent Apoptosis in A549 Cells and Inhibiting MAPK14 (p38α): In Vitro and Computational Investigations

HCV-targeted antivirals: current status and future challenges

Harnessing the pyrroloquinoxaline scaffold for FAAH and MAGL interaction: definition of the structural determinants for enzyme inhibition

Identification of novel fluorescent probes preventing PrPSc replication in prion diseases

In Silico Analysis of Peptide-Based Derivatives Containing Bifunctional Warheads Engaging Prime and Non-Prime Subsites to Covalent Binding SARS-CoV-2 Main Protease (Mpro)

In Vitro and In Silico Analyses of New Cinnamid and Rosmarinic Acid-Derived Compounds Biosynthesized in Escherichia coli as Leishmania amazonensis Arginase Inhibitors

In silico analysis of RNA-dependent RNA polymerase of the SARS-CoV-2 and therapeutic potential of existing antiviral drugs

In silico study of subtilisin-like protease 1 (SUB1) from different Plasmodium species in complex with peptidyl-difluorostatones and characterization of potent pan-SUB1 inhibitors

MicroRNA-Based Multitarget Approach for Alzheimer's Disease: Discovery of the First-In-Class Dual Inhibitor of Acetylcholinesterase and MicroRNA-15b Biogenesis

Mimicking the intramolecular hydrogen bond: synthesis, biological evaluation, and molecular modeling of benzoxazines and quinazolines as potential antimalarial agents.

Multifunctional cholinesterase and amyloid Beta fibrillization modulators. Synthesis and biological investigation

Multitarget compounds bearing tacrine- and donepezil-like structural and functional motifs for the potential treatment of Alzheimer's disease

Novel analgesic/anti-inflammatory agents: 1,5-diarylpyrrole nitrooxyalkyl ethers and related compounds as cyclooxygenase-2 inhibiting nitric oxide donors

Novel spiroindoline HDAC inhibitors: Synthesis, molecular modelling and biological studies

Off-target ACE2 ligands: possible therapeutic option for CoVid-19?

Old but Gold: Tracking the New Guise of Histone Deacetylase 6 (HDAC6) Enzyme as a Biomarker and Therapeutic Target in Rare Diseases

Optimization of 4-aminoquinoline/clotrimazole-based hybrid antimalarials: further structure-activity relationships, in vivo studies, and preliminary toxicity profiling

Pharmacophore modeling for qualitative prediction of antiestrogenic activity

Phenylpyrrole-based HDAC inhibitors: synthesis, molecular modeling and biological studies

Plasmodium falciparum subtilisin-like protease 1: discovery of potent difluorostatone-based inhibitors

Polypharmacology of dopamine receptor ligands.

Quinolylhydrazones as novel inhibitors of Plasmodium falciparum serine protease PfSUB1.

Rational design of the first difluorostatone-based PfSUB1 inhibitors

Screening and Phenotypical Characterization of Schistosoma mansoni Histone Deacetylase 8 (SmHDAC8) Inhibitors as Multistage Antischistosomal Agents

Structural characterization of Giardia duodenalis thioredoxin reductase (gTrxR) and computational analysis of its interaction with NBDHEX.

Structure-based discovery of the first non-covalent inhibitors of Leishmania major tryparedoxin peroxidase by high throughput docking

Synthesis and Antiplasmodial Activity of Bicyclic Dioxanes as Simplified Dihydroplakortin Analogues

Synthesis and Biological Evaluation of Novel Neuroprotective Pyridazine Derivatives as Excitatory Amino Acid Transporter 2 (EAAT2) Activators

Synthesis and biological evaluation of a new class of benzothiazines as neuroprotective agents

Synthesis and biological evaluation of fluorinated 1,5-diarylpyrrole-3-alkoxyethyl ether derivatives as selective COX-2 inhibitors endowed with anti-inflammatory activity

Synthesis and structure-activity relationship studies in serotonin 5-HT(1A) receptor agonists based on fused pyrrolidone scaffolds

Synthetic spirocyclic endoperoxides: new antimalarial scaffolds

Synthetic studies toward bicyclic endoperoxides presenting polar side chains

Targeting clinically-relevant metallo-β-lactamases: from high-throughput docking to broad-spectrum inhibitors.

Targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors for developing effective antipsychotics: synthesis, biological characterization, and behavioral studies

Tetrahydrofuran acetogenins from Laurencia glandulifera

The Citrus Flavonoid Naringenin Protects the Myocardium from Ageing-Dependent Dysfunction: Potential Role of SIRT1

The structural evolution of β-secretase inhibitors: a focus on the development of small-molecule inhibitors

Three-dimensional quantitative structure-selectivity relationships analysis guided rational design of a highly selective ligand for the cannabinoid receptor 2.

Verbascoside Inhibits Promastigote Growth and Arginase Activity of Leishmania amazonensis

iPSC-derived neurons profiling reveals GABAergic circuit disruption and acetylated α-tubulin defect which improves after iHDAC6 treatment in Rett syndrome