All Stories

  1. 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

  2. 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

  3. (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

  4. 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

  5. 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

  6. 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

  7. Unconventional Knoevenagel-type indoles: Synthesis and cell-based studies for the identification of pro-apoptotic agents

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

    Dr sandra gemma, Dr Stefania Butini

  8. 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

  9. Synthetic spirocyclic endoperoxides: new antimalarial scaffolds

    Article • MedChemComm, January 2015, Royal Society of Chemistry

    Dr sandra gemma, Dr Simone Brogi, Dr Stefania Butini

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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

  15. Retraction notice to “PBOX-15 induces apoptosis and improves the efficacy of oxaliplatin in human colorectal cancer cell lines” [Eur. J. Pharmacol. 714(1–3) (2013) 379–387]

    Article • European Journal of Pharmacology, April 2014, Elsevier

    Dr sandra gemma, Dr Stefania Butini

  16. 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

  17. 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

  18. 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

  19. A stereoselective route to 6-substituted pyrrolo-1,5-benzoxazepinones and their analogues

    Article • Tetrahedron Letters, September 2013, Elsevier

    Dr sandra gemma, Dr Stefania Butini

  20. RETRACTED: PBOX-15 induces apoptosis and improves the efficacy of oxaliplatin in human colorectal cancer cell lines

    Article • European Journal of Pharmacology, August 2013, Elsevier

    Dr sandra gemma, Dr Stefania Butini

  21. 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

  22. 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

  23. A synthetic strategy to bridged 2,3,8-trioxabicyclo[3,3,1]nonane endoperoxides

    Article • Tetrahedron Letters, March 2013, Elsevier

    Dr sandra gemma, Dr Stefania Butini

  24. Novel peptidomimetics as BACE-1 inhibitors: Synthesis, molecular modeling, and biological studies

    Article • Bioorganic & Medicinal Chemistry Letters, January 2013, Elsevier

    Dr sandra gemma, Dr Stefania Butini

  25. Identification of a novel arylpiperazine scaffold for fatty acid amide hydrolase inhibition with improved drug disposition properties

    Article • Bioorganic & Medicinal Chemistry Letters, January 2013, Elsevier

    Dr sandra gemma, Dr Stefania Butini, Professor Walter Cabri

  26. 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

  27. A Straightforward Approach for Engineering Efficacy and Selectivity at GPCRs

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

    Dr sandra gemma, Dr Stefania Butini

  28. Discovery of Potent Inhibitors of Human and Mouse Fatty Acid Amide Hydrolases

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

    Dr sandra gemma, Dr Stefania Butini, Professor Walter Cabri

  29. 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

  30. 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

  31. The Ca2+-ATPase (SERCA1) Is Inhibited by 4-Aminoquinoline Derivatives through Interference with Catalytic Activation by Ca2+, Whereas the ATPase E2 State Remains Functional

    Article • Journal of Biological Chemistry, September 2011, American Society for Biochemistry & Molecular Biology (ASBMB)

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

  32. 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

  33. Selective Kainate Receptor (GluK1) Ligands Structurally Based upon 1 H -Cyclopentapyrimidin-2,4(1 H ,3 H )-dione: Synthesis, Molecular Modeling, and Pharmacological and Biostructural Characterization

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

    Dr sandra gemma, Dr Stefania Butini

  34. Enantioselective binding of second generation pyrrolobenzoxazepinones to the catalytic ternary complex of HIV-1 RT wild-type and L100I and K103N drug resistant mutants

    Article • Bioorganic & Medicinal Chemistry Letters, July 2011, Elsevier

    Dr sandra gemma, Dr Stefania Butini

  35. Discovery of potent nucleotide-mimicking competitive inhibitors of hepatitis C virus NS3 helicase

    Article • Bioorganic & Medicinal Chemistry Letters, May 2011, Elsevier

    Dr sandra gemma, Dr Stefania Butini

  36. Plasmepsins Inhibitors as Potential Drugs against Malaria: Starving the Parasite

    Article • April 2011, Wiley

    Dr sandra gemma

  37. Non-Nucleoside Inhibitors of Human Adenosine Kinase: Synthesis, Molecular Modeling, and Biological Studies

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

    Dr sandra gemma, Dr Stefania Butini

  38. Pyrroloquinoxaline hydrazones as fluorescent probes for amyloid fibrils

    Article • Organic & Biomolecular Chemistry, January 2011, Royal Society of Chemistry

    Dr sandra gemma, Dr Stefania Butini

  39. Broad inhibition of plasmodium falciparum cytoadherence by (+)-epigallocatechin gallate

    Article • Malaria Journal, January 2011, Springer Science + Business Media

    Dr sandra gemma

  40. Malaria Chemotherapy: Recent Advances in Drug Development

    Article • Recent Patents on Anti-Infective Drug Discovery, November 2010, Bentham Science Publishers

    Dr sandra gemma, Dr Stefania Butini

  41. Discovery of Bishomo(hetero)arylpiperazines as Novel Multifunctional Ligands Targeting Dopamine D 3 and Serotonin 5-HT 1A and 5-HT 2A Receptors

    Article • Journal of Medicinal Chemistry, June 2010, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  42. Synthesis of Dihydroplakortin, 6- epi -Dihydroplakortin, and Their C10-Desethyl Analogues

    Article • The Journal of Organic Chemistry, April 2010, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  43. The Interactions of the 5-HT3 Receptor with Quipazine-Like Arylpiperazine Ligands. The Journey Track at the End of the First Decade of the Third Millennium

    Article • Current Topics in Medicinal Chemistry, April 2010, Bentham Science Publishers

    Dr sandra gemma, Dr Stefania Butini

  44. Synthesis and biological evaluation of novel allophenylnorstatine-based HIV-1 protease inhibitors incorporating high affinity P2-ligands

    Article • Bioorganic & Medicinal Chemistry Letters, February 2010, Elsevier

    Dr Masayuki Amano, Dr sandra gemma

  45. Inhibition of SERCA1 by a Novel Antimalarial Compound

    Article • Biophysical Journal, January 2010, Elsevier

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

  46. Novel, Potent, and Selective Quinoxaline-Based 5-HT 3 Receptor Ligands. 1. Further Structure−Activity Relationships and Pharmacological Characterization

    Article • Journal of Medicinal Chemistry, November 2009, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  47. Synthetic studies toward 1,2-dioxanes as precursors of potential endoperoxide-containing antimalarials

    Article • Tetrahedron Letters, October 2009, Elsevier

    Dr sandra gemma, Dr Stefania Butini

  48. Development of antitubercular compounds based on a 4-quinolylhydrazone scaffold. Further structure–activity relationship studies

    Article • Bioorganic & Medicinal Chemistry, August 2009, Elsevier

    Dr sandra gemma, Dr Stefania Butini

  49. Specific Targeting of Peripheral Serotonin 5-HT 3 Receptors. Synthesis, Biological Investigation, and Structure−Activity Relationships

    Article • Journal of Medicinal Chemistry, June 2009, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  50. Specific Targeting of Highly Conserved Residues in the HIV-1 Reverse Transcriptase Primer Grip Region. 2. Stereoselective Interaction to Overcome the Effects of Drug Resistant Mutations

    Article • Journal of Medicinal Chemistry, February 2009, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  51. Combining 4-Aminoquinoline- and Clotrimazole-Based Pharmacophores toward Innovative and Potent Hybrid Antimalarials

    Article • Journal of Medicinal Chemistry, January 2009, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  52. Discovery of a New Class of Potential Multifunctional Atypical Antipsychotic Agents Targeting Dopamine D 3 and Serotonin 5-HT 1A and 5-HT 2A Receptors: Design, Synthesis, and Effects on Behavior

    Article • Journal of Medicinal Chemistry, January 2009, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  53. An Efficient Approach to Chiral C8/C9-Piperazino-Substituted 1,4-Benzodiazepin-2-ones as Peptidomimetic Scaffolds

    Article • The Journal of Organic Chemistry, November 2008, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  54. 1 H -Cyclopentapyrimidine-2,4(1 H ,3 H )-dione-Related Ionotropic Glutamate Receptors Ligands. Structure−Activity Relationships and Identification of Potent and Selective iGluR5 Modulators

    Article • Journal of Medicinal Chemistry, October 2008, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  55. Flexible Cyclic Ethers/Polyethers as Novel P2-Ligands for HIV-1 Protease Inhibitors: Design, Synthesis, Biological Evaluation, and Protein−Ligand X-ray Studies †

    Article • Journal of Medicinal Chemistry, October 2008, American Chemical Society (ACS)

    Dr sandra gemma

  56. Tacrine based human cholinesterase inhibitors: Synthesis of peptidic-tethered derivatives and their effect on potency and selectivity

    Article • Bioorganic & Medicinal Chemistry Letters, October 2008, Elsevier

    Dr sandra gemma, Dr Stefania Butini

  57. β-Secretase as a therapeutic target for Alzheimer’s disease

    Article • Neurotherapeutics, July 2008, Springer Science + Business Media

    Dr sandra gemma

  58. ChemInform Abstract: Microwave-Assisted Synthesis of 4-Quinolylhydrazines Followed by Nickel Boride Reduction: A Convenient Approach to 4-aminoquinolines and Derivatives.

    Article • ChemInform, July 2008, Wiley

    Dr sandra gemma

  59. Selective targeting of the HIV-1 reverse transcriptase catalytic complex through interaction with the “primer grip” region by pyrrolobenzoxazepinone non-nucleoside inhibitors correlates with increased activity towards drug-resistant mutants

    Article • Biochemical Pharmacology, July 2008, Elsevier

    Dr sandra gemma, Dr Stefania Butini

  60. Exploiting Protein Fluctuations at the Active-Site Gorge of Human Cholinesterases: Further Optimization of the Design Strategy to Develop Extremely Potent Inhibitors

    Article • Journal of Medicinal Chemistry, June 2008, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  61. Microwave-assisted synthesis of 4-quinolylhydrazines followed by nickel boride reduction: a convenient approach to 4-aminoquinolines and derivatives

    Article • Tetrahedron Letters, March 2008, Elsevier

    Dr sandra gemma, Dr Stefania Butini

  62. Design, Synthesis, and Structure–Activity Relationship Studies of 4-Quinolinyl- and 9-Acrydinylhydrazones as Potent Antimalarial Agents

    Article • Journal of Medicinal Chemistry, March 2008, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  63. Clotrimazole Scaffold as an Innovative Pharmacophore Towards Potent Antimalarial Agents: Design, Synthesis, and Biological and Structure–Activity Relationship Studies

    Article • Journal of Medicinal Chemistry, March 2008, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  64. Potent HIV-1 protease inhibitors incorporating meso-bicyclic urethanes as P2-ligands: structure-based design, synthesis, biological evaluation and protein–ligand X-ray studies

    Article • Organic & Biomolecular Chemistry, January 2008, Royal Society of Chemistry

    Dr sandra gemma

  65. Development of piperazine-tethered heterodimers as potent antimalarials against chloroquine-resistant P. falciparum strains. Synthesis and molecular modeling

    Article • Bioorganic & Medicinal Chemistry Letters, July 2007, Elsevier

    Dr sandra gemma, Dr Stefania Butini

  66. Design and Synthesis of Potent Antimalarial Agents Based on Clotrimazole Scaffold:  Exploring an Innovative Pharmacophore

    Article • Journal of Medicinal Chemistry, February 2007, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  67. Synthesis of N1-arylidene-N2-quinolyl- and N2-acrydinylhydrazones as potent antimalarial agents active against CQ-resistant P. falciparum strains

    Article • Bioorganic & Medicinal Chemistry Letters, October 2006, Elsevier

    Dr sandra gemma, Dr Stefania Butini

  68. Discovery of Huperzine A−Tacrine Hybrids as Potent Inhibitors of Human Cholinesterases Targeting Their Midgorge Recognition Sites

    Article • Journal of Medicinal Chemistry, June 2006, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  69. Specific Targeting Highly Conserved Residues in the HIV-1 Reverse Transcriptase Primer Grip Region. Design, Synthesis, and Biological Evaluation of Novel, Potent, and Broad Spectrum NNRTIs with Antiviral Activity

    Article • Journal of Medicinal Chemistry, November 2005, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  70. Specific Targeting of Hepatitis C Virus NS3 RNA Helicase. Discovery of the Potent and Selective Competitive Nucleotide-Mimicking Inhibitor QU663 †

    Article • Biochemistry, July 2005, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  71. Pyrrolo[1,5]benzoxa(thia)zepines as a New Class of Potent Apoptotic Agents. Biological Studies and Identification of an Intracellular Location of Their Drug Target

    Article • Journal of Medicinal Chemistry, June 2005, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  72. Development of Molecular Probes for the Identification of Extra Interaction Sites in the Mid-Gorge and Peripheral Sites of Butyrylcholinesterase (BuChE). Rational Design of Novel, Selective, and Highly Potent BuChE Inhibitors †

    Article • Journal of Medicinal Chemistry, March 2005, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  73. Novel Atypical Antipsychotic Agents:  Rational Design, an Efficient Palladium-Catalyzed Route, and Pharmacological Studies

    Article • Journal of Medicinal Chemistry, March 2005, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  74. Effects of Drug Resistance Mutations L100I and V106A on the Binding of Pyrrolobenzoxazepinone Nonnucleoside Inhibitors to the Human Immunodeficiency Virus Type 1 Reverse Transcriptase Catalytic Complex

    Article • Antimicrobial Agents and Chemotherapy, May 2004, ASM Journals

    Dr sandra gemma

  75. Pyrrolo[1,3]benzothiazepine-Based Serotonin and Dopamine Receptor Antagonists. Molecular Modeling, Further Structure−Activity Relationship Studies, and Identification of Novel Atypical Antipsychotic Agents

    Article • Journal of Medicinal Chemistry, January 2004, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  76. Synthesis and Pharmacological Evaluation of Potent and Highly Selective D 3 Receptor Ligands:  Inhibition of Cocaine-Seeking Behavior and the Role of Dopamine D 3 /D 2 Receptors †

    Article • Journal of Medicinal Chemistry, August 2003, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini, PhD Francesca F Aiello

  77. A Palladium-Catalyzed Synthetic Approach to New Huperzine A Analogues Modified at the Pyridone Ring.

    Article • ChemInform, May 2003, Wiley

    Dr sandra gemma, Dr Stefania Butini

  78. A palladium-catalyzed synthetic approach to new Huperzine A analogues modified at the pyridone ring

    Article • Tetrahedron, January 2003, Elsevier

    Dr sandra gemma, Dr Stefania Butini

  79. Polycondensed heterocycles. Part 12: An approach to the synthesis of 2-acetyl-1′-methyl-1,2,3,4-tetrahydrospiro[isoquinoline-1,4′-pyrrolidine]-2′-one

    Article • Tetrahedron, May 2002, Elsevier

    Dr sandra gemma, Dr Stefania Butini

  80. Pyrrolo[1,3]benzothiazepine-Based Atypical Antipsychotic Agents. Synthesis, Structure−Activity Relationship, Molecular Modeling, and Biological Studies

    Article • Journal of Medicinal Chemistry, January 2002, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini

  81. Pyrroloquinoxaline Derivatives as High-Affinity and Selective 5-HT 3 Receptor Agonists:  Synthesis, Further Structure−Activity Relationships, and Biological Studies

    Article • Journal of Medicinal Chemistry, October 1999, American Chemical Society (ACS)

    Dr sandra gemma, Dr Stefania Butini