All Stories

  1. Role of hydrogen sulfide in cardiovascular ageing

    Article • Pharmacological Research, October 2020, Elsevier

    Dr Simone Brogi

  2. Development of In Vitro Corneal Models: Opportunity for Pharmacological Testing and Legislative Aspects

    Article • September 2020, MDPI AG

    Dr Simone Brogi

  3. Anti‐inflammatory and antiviral roles of hydrogen sulfide: rationale for considering H 2 S‐donors in COVID‐19 therapy

    Article • British Journal of Pharmacology, August 2020, Wiley

    Dr Simone Brogi

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

    Article • Journal of Medicinal Chemistry, August 2020, American Chemical Society (ACS)

    Dr Simone Brogi

  5. Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions

    Article • ACS Chemical Neuroscience, June 2020, American Chemical Society (ACS)

    Dr Simone Brogi

  6. Off‐target ACE2 ligands: Possible therapeutic option for CoVid‐19?

    Article • British Journal of Clinical Pharmacology, May 2020, Wiley

    Dr Simone Brogi

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

    Article • Molecules, April 2020, MDPI AG

    Dr Simone Brogi

  8. Telomerase-based Cancer Therapeutics: A Review on their Clinical Trials

    Article • Current Topics in Medicinal Chemistry, April 2020, Bentham Science Publishers

    Dr Simone Brogi, Dr sandra gemma, Dr Stefania Butini, Stefano Federico

  9. Structure-activity relationships study of isothiocyanates for H2S releasing properties: 3-Pyridyl-isothiocyanate as a new promising cardioprotective agent

    Article • Journal of Advanced Research, March 2020, Elsevier

    Dr Simone Brogi

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

    Article • Oxidative Medicine and Cellular Longevity, January 2020, Hindawi Publishing Corporation

    Dr Simone Brogi

  11. 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

    Article • Food & Function, January 2020, Royal Society of Chemistry

    Dr Simone Brogi

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

    Article • Molecules, November 2019, MDPI AG

    Dr Simone Brogi

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

    Article • ACS Infectious Diseases, November 2019, American Chemical Society (ACS)

    Dr Simone Brogi

  14. Development of novel multipotent compounds modulating endocannabinoid and dopaminergic systems

    Article • European Journal of Medicinal Chemistry, September 2019, Elsevier

    Dr Simone Brogi

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

    Article • Journal of Medicinal Chemistry, August 2019, American Chemical Society (ACS)

    Dr Simone Brogi

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

    Article • ACS Medicinal Chemistry Letters, February 2019, American Chemical Society (ACS)

    Dr Simone Brogi

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

    Article • Food & Function, January 2019, Royal Society of Chemistry

    Dr Simone Brogi

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

    Article • Tetrahedron Letters, November 2018, Elsevier

    Dr Simone Brogi, Dr Stefania Butini

  19. Cinnamic acids derived compounds with antileishmanial activity target Leishmania amazonensis arginase

    Article • Chemical Biology & Drug Design, October 2018, Wiley

    Dr Simone Brogi

  20. Synthetic studies toward bicyclic endoperoxides presenting polar side chains

    Article • Tetrahedron Letters, October 2018, Elsevier

    Dr Simone Brogi

  21. Discovery of Iminobenzimidazole Derivatives as Novel Cytotoxic Agents

    Article • The Open Medicinal Chemistry Journal, August 2018, Bentham Science Publishers

    Dr Simone Brogi

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

    Article • ChemMedChem, August 2018, Wiley

    Dr Simone Brogi

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

    Article • European Journal of Medicinal Chemistry, July 2018, Elsevier

    Dr sandra gemma, Dr Simone Brogi

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

    Article • Experimental Cell Research, May 2018, Elsevier

    Dr Simone Brogi

  25. 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...

    Article • European Journal of Medicinal Chemistry, March 2018, Elsevier

    Dr Simone Brogi

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

    Article • Journal of Medicinal Chemistry, February 2018, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini, Dr Simone Brogi

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

    Article • ChemMedChem, February 2018, Wiley

    Dr Simone Brogi, Davide M Ferraris

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

    Article • ChemMedChem, November 2017, Wiley

    Dr Stefania Butini, Dr Simone Brogi

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

    Article • European Journal of Medicinal Chemistry, June 2017, Elsevier

    Dr Simone Brogi, Dr Stefania Butini

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

    Article • Journal of Medicinal Chemistry, May 2017, American Chemical Society (ACS)

    Dr Simone Brogi

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

    Article • European Journal of Medicinal Chemistry, April 2017, Elsevier

    Dr Simone Brogi, Dr sandra gemma, Dr Stefania Butini

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

    Article • Frontiers in Chemistry, February 2017, Frontiers

    Dr Simone Brogi, Dr Stefania Butini

  33. Breakthroughs in Computational Approaches for Drug Discovery

    Article • Journal of Drug Research and Development, January 2017, Sci Forschen, Inc.

    Dr Simone Brogi

  34. Identification of novel fluorescent probes preventing PrPSc replication in prion diseases

    Article • European Journal of Medicinal Chemistry, November 2016, Elsevier

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini

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

    Article • European Journal of Medicinal Chemistry, November 2016, Elsevier

    Dr Simone Brogi

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

    Article • Frontiers in Neuroscience, October 2016, Frontiers

    Dr Stefania Butini, Prof. Dr. Dr. h.c. Holger Stark, Dr Simone Brogi

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

    Article • Future Medicinal Chemistry, September 2016, Future Science

    Dr Simone Brogi, Dr Stefania Butini

  38. Development of novel cyclic peptides as pro-apoptotic agents

    Article • European Journal of Medicinal Chemistry, July 2016, Elsevier

    Dr Simone Brogi, Dr Stefania Butini

  39. Polypharmacology of dopamine receptor ligands

    Article • Progress in Neurobiology, May 2016, Elsevier

    Dr Simone Brogi, Dr Stefania Butini

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

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, April 2016, Taylor & Francis

    Dr Simone Brogi, Dr Stefania Butini

  41. Verbascoside Inhibits Promastigote Growth and Arginase Activity ofLeishmania amazonensis

    Article • Journal of Natural Products, April 2016, American Chemical Society (ACS)

    Dr Simone Brogi

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

    Article • Journal of Medicinal Chemistry, March 2016, American Chemical Society (ACS)

    Dr Simone Brogi, Dr Stefania Butini

  43. 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

    Article • Journal of Molecular Graphics and Modelling, March 2016, Elsevier

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini

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

    Article • European Journal of Medicinal Chemistry, February 2016, Elsevier

    Dr Simone Brogi

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

    Article • Tetrahedron Letters, February 2016, Elsevier

    Dr Simone Brogi, Dr Stefania Butini

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

    Article • Progress in Neurobiology, January 2016, Elsevier

    Dr Simone Brogi, Dr Stefania Butini

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

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Dr Simone Brogi, Dr Stefania Butini

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

    Article • Bioorganic & Medicinal Chemistry Letters, November 2015, Elsevier

    Dr Simone Brogi, Dr Stefania Butini

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

    Article • European Journal of Medicinal Chemistry, October 2015, Elsevier

    Dr Simone Brogi, Dr Stefania Butini, Dr Tsutomu Inokuchi

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

    Article • Scientific Reports, May 2015, Springer Science + Business Media

    Dr Stefania Butini, Dr Simone Brogi, Dr sandra gemma

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

    Article • Mini-Reviews in Medicinal Chemistry, April 2015, Bentham Science Publishers

    Dr Simone Brogi, Dr Stefania Butini

  52. Discovery and Cardioprotective Effects of the First Non-Peptide Agonists of the G Protein-Coupled Prokineticin Receptor-1

    Article • PLoS ONE, April 2015, PLOS

    Dr Simone Brogi

  53. Synthetic spirocyclic endoperoxides: new antimalarial scaffolds

    Article • MedChemComm, January 2015, Royal Society of Chemistry

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini

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

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini

  55. Discovery of GPCR ligands for probing signal transduction pathways

    Article • Frontiers in Pharmacology, November 2014, Frontiers

    Dr Simone Brogi

  56. Targeting Dopamine D 3 and Serotonin 5-HT 1A and 5-HT 2A Receptors for Developing Effective Antipsychotics: Synthesis, Biological Characterization, and Behavioral Studies

    Article • Journal of Medicinal Chemistry, November 2014, American Chemical Society (ACS)

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini

  57. Rational design of the first difluorostatone-based PfSUB1 inhibitors

    Article • Bioorganic & Medicinal Chemistry Letters, August 2014, Elsevier

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini

  58. Disease-Modifying Anti-Alzheimer's Drugs: Inhibitors of Human Cholinesterases Interfering withβ-Amyloid Aggregation

    Article • CNS Neuroscience & Therapeutics, June 2014, Wiley

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini

  59. HCV-targeted Antivirals: Current Status and Future Challenges

    Article • Current Pharmaceutical Design, May 2014, Bentham Science Publishers

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini

  60. 0365: Non-peptidic prokineticin receptor 1 agonist as a novel cardioprotective therapeutic

    Article • Archives of Cardiovascular Diseases Supplements, April 2014, Elsevier

    Dr Simone Brogi

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

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini

  62. Multifunctional Cholinesterase and Amyloid Beta Fibrillization Modulators. Synthesis and Biological Investigation

    Article • ACS Medicinal Chemistry Letters, December 2013, American Chemical Society (ACS)

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini

  63. A stereoselective approach to peptidomimetic BACE1 inhibitors

    Article • European Journal of Medicinal Chemistry, December 2013, Elsevier

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini

  64. 3D-QSAR using pharmacophore-based alignment and virtual screening for discovery of novel MCF-7 cell line inhibitors

    Article • European Journal of Medicinal Chemistry, September 2013, Elsevier

    Dr Simone Brogi

  65. The Structural Evolution of β-Secretase Inhibitors: A Focus on the Development of Small-Molecule Inhibitors

    Article • Current Topics in Medicinal Chemistry, July 2013, Bentham Science Publishers

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini

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

    Article • Journal of Medicinal Chemistry, June 2013, American Chemical Society (ACS)

    Dr Simone Brogi

  67. Synthesis and structure–activity relationship studies in serotonin 5-HT1A receptor agonists based on fused pyrrolidone scaffolds

    Article • European Journal of Medicinal Chemistry, May 2013, Elsevier

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini, dr gianfranco caselli

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

    Article • Journal of Medicinal Chemistry, April 2013, American Chemical Society (ACS)

    Dr Simone Brogi

  69. Mimicking the Intramolecular Hydrogen Bond: Synthesis, Biological Evaluation, and Molecular Modeling of Benzoxazines and Quinazolines as Potential Antimalarial Agents

    Article • Journal of Medicinal Chemistry, December 2012, American Chemical Society (ACS)

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini, Dr Francesco Tadini Buoninsegni

  70. Optimization of 4-Aminoquinoline/Clotrimazole-Based Hybrid Antimalarials: Further Structure–Activity Relationships, in Vivo Studies, and Preliminary Toxicity Profiling

    Article • Journal of Medicinal Chemistry, August 2012, American Chemical Society (ACS)

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini

  71. Quinolylhydrazones as novel inhibitors of Plasmodium falciparum serine protease PfSUB1

    Article • Bioorganic & Medicinal Chemistry Letters, August 2012, Elsevier

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini

  72. Design, Synthesis, and Pharmacological Characterization of Indol-3-ylacetamides, Indol-3-yloxoacetamides, and Indol-3-ylcarboxamides: Potent and Selective CB2 Cannabinoid Receptor Inverse Agonists

    Article • Journal of Medicinal Chemistry, June 2012, American Chemical Society (ACS)

    Dr Simone Brogi

  73. Characterization of COR627 and COR628, Two Novel Positive Allosteric Modulators of the GABAB Receptor

    Article • Journal of Pharmacology and Experimental Therapeutics, November 2011, American Society for Pharmacology & Experimental Therapeutics (ASPET)

    Dr Simone Brogi

  74. Synthesis and Antiplasmodial Activity of Bicyclic Dioxanes as Simplified Dihydroplakortin Analogues

    Article • Journal of Medicinal Chemistry, August 2011, American Chemical Society (ACS)

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini

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

    Article • European Journal of Medicinal Chemistry, February 2011, Elsevier

    Dr Simone Brogi

  76. Pharmacophore Modeling for Qualitative Prediction of Antiestrogenic Activity

    Article • Journal of Chemical Information and Computer Sciences, November 2009, American Chemical Society (ACS)

    Dr Simone Brogi

  77. Tetrahydrofuran Acetogenins from Laurencia glandulifera

    Article • Journal of Natural Products, February 2009, American Chemical Society (ACS)

    Dr Simone Brogi