All Stories

  1. Computational Methods in the Design of Anticancer Drugs

    Article • Pharmaceuticals, March 2024, MDPI AG

    Prof Mariangela Agamennone

  2. A Comprehensive Computational Insight into the PD-L1 Binding to PD-1 and Small Molecules

    Article • Pharmaceuticals, February 2024, MDPI AG

    Prof Mariangela Agamennone

  3. Design and Evaluation of Synthesized Pyrrole Derivatives as Dual COX-1 and COX-2 Inhibitors Using FB-QSAR Approach

    Article • ACS Omega, December 2023, American Chemical Society (ACS)

    Prof Mariangela Agamennone

  4. Erlotinib-containing benzenesulfonamides as anti-Helicobacter pylori agents through carbonic anhydrase inhibition

    Article • Future Medicinal Chemistry, October 2023, Future Science

    Prof Mariangela Agamennone

  5. Rational Design of Novel Peptidomimetics against Influenza A Virus: Biological and Computational Studies

    Article • International Journal of Molecular Sciences, September 2023, MDPI AG

    Prof Mariangela Agamennone

  6. Identification of Anti-Influenza A Compounds Inhibiting the Viral Non-Structural Protein 1 (NS1) Using a Type I Interferon-Driven Screening Strategy

    Article • International Journal of Molecular Sciences, June 2023, MDPI AG

    Prof Mariangela Agamennone

  7. Benzenesulfonamide derivatives as Vibrio cholerae carbonic anhydrases inhibitors: a computational-aided insight in the structural rigidity-activity relationships

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, April 2023, Taylor & Francis

    Prof Mariangela Agamennone

  8. Coumarin-Based Dual Inhibitors of Human Carbonic Anhydrases and Monoamine Oxidases Featuring Amino Acyl and (Pseudo)-Dipeptidyl Appendages: In Vitro and Computational Studies

    Article • Molecules, November 2022, MDPI AG

    Prof Mariangela Agamennone

  9. Resveratrol Analogues as Dual Inhibitors of Monoamine Oxidase B and Carbonic Anhydrase VII: A New Multi-Target Combination for Neurodegenerative Diseases?

    Article • Molecules, November 2022, MDPI AG

    Prof Mariangela Agamennone

  10. Antiviral Peptides as Anti-Influenza Agents

    Article • International Journal of Molecular Sciences, September 2022, MDPI AG

    Prof Mariangela Agamennone

  11. Benzothiazole Derivatives Endowed with Antiproliferative Activity in Paraganglioma and Pancreatic Cancer Cells: Structure–Activity Relationship Studies and Target Prediction Analysis

    Article • Pharmaceuticals, July 2022, MDPI AG

    Prof Mariangela Agamennone

  12. Broad-Spectrum Activity of Small Molecules Acting against Influenza a Virus: Biological and Computational Studies

    Article • Pharmaceuticals, February 2022, MDPI AG

    Prof Mariangela Agamennone

  13. Het(aryl)isatin to het(aryl)aminoindoline scaffold hopping: A route to selective inhibitors of matrix metalloproteinases

    Article • Arabian Journal of Chemistry, January 2022, Elsevier

    Prof Mariangela Agamennone

  14. Discovery of a Novel Tetrapeptide against Influenza A Virus: Rational Design, Synthesis, Bioactivity Evaluation and Computational Studies

    Article • Pharmaceuticals, September 2021, MDPI AG

    Prof Mariangela Agamennone

  15. Hampering the early aggregation of PrP-E200K protein by charge-based inhibitors: a computational study

    Article • Journal of Computer-Aided Molecular Design, June 2021, Springer Science + Business Media

    Prof. Loriano Storchi, Prof Mariangela Agamennone

  16. Development of CDK4/6 Inhibitors: A Five Years Update

    Article • Molecules, March 2021, MDPI AG

    Prof Mariangela Agamennone

  17. (2-Aminobenzothiazole)-Methyl-1,1-Bisphosphonic Acids: Targeting Matrix Metalloproteinase 13 Inhibition to the Bone

    Article • Pharmaceuticals, January 2021, MDPI AG

    Prof Mariangela Agamennone

  18. Discovery of 7-aminophenanthridin-6-one as a new scaffold for matrix metalloproteinase inhibitors with multitarget neuroprotective activity

    Article • European Journal of Medicinal Chemistry, January 2021, Elsevier

    Prof Mariangela Agamennone

  19. Protein-protein interactions at a glance: Protocols for the visualization of biomolecular interactions

    Article • January 2021, Elsevier

    Prof Mariangela Agamennone

  20. Bone-Seeking Matrix Metalloproteinase Inhibitors for the Treatment of Skeletal Malignancy

    Article • Pharmaceuticals, June 2020, MDPI AG

    Prof Mariangela Agamennone

  21. Characterization of PD-L1 binding sites by a combined FMO/GRID-DRY approach

    Article • Journal of Computer-Aided Molecular Design, March 2020, Springer Science + Business Media

    Prof. Loriano Storchi, Prof Mariangela Agamennone

  22. Virtual screening identification and chemical optimization of substituted 2-arylbenzimidazoles as new non-zinc-binding MMP-2 inhibitors

    Article • Bioorganic & Medicinal Chemistry, February 2020, Elsevier

    Prof Mariangela Agamennone

  23. Bovine Lactoferrin Prevents Influenza A Virus Infection by Interfering with the Fusogenic Function of Viral Hemagglutinin

    Article • Viruses, January 2019, MDPI AG

    Prof Mariangela Agamennone

  24. Novel bisphosphonates with antiresorptive effect in bone mineralization and osteoclastogenesis

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

    Prof Mariangela Agamennone

  25. Mimic catechins to develop selective MMP-2 inhibitors

    Article • Monatshefte für Chemie - Chemical Monthly, June 2018, Springer Science + Business Media

    Prof Mariangela Agamennone

  26. Bisphosfonate matrix metalloproteinase inhibitors for the treatment of periodontitis: An in vitro study

    Article • International Journal of Molecular Medicine, April 2018, Spandidos Publications

    Prof Mariangela Agamennone

  27. Lactoferrin-derived Peptides Active towards Influenza: Identification of Three Potent Tetrapeptide Inhibitors

    Article • Scientific Reports, September 2017, Springer Science + Business Media

    Prof Mariangela Agamennone

  28. Dual targeting of cancer-related human matrix metalloproteinases and carbonic anhydrases by chiral N-(biarylsulfonyl)-phosphonic acids

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, January 2017, Taylor & Francis

    Prof Mariangela Agamennone

  29. Seeking for Non-Zinc-Binding MMP-2 Inhibitors: Synthesis, Biological Evaluation and Molecular Modelling Studies

    Article • International Journal of Molecular Sciences, October 2016, MDPI AG

    Alessandra Ammazzalorso, Prof Mariangela Agamennone

  30. Catechol-based matrix metalloproteinase inhibitors with additional antioxidative activity

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

    Prof Mariangela Agamennone

  31. Fragment-Based Discovery of 5-Arylisatin-Based Inhibitors of Matrix Metalloproteinases 2 and 13

    Article • ChemMedChem, July 2016, Wiley

    Prof Mariangela Agamennone

  32. An Effective Virtual Screening Protocol To Identify Promising p53–MDM2 Inhibitors

    Article • Journal of Chemical Information and Modeling, June 2016, American Chemical Society (ACS)

    Prof Mariangela Agamennone

  33. Identification of new anti-Candida compounds by ligand-based pharmacophore virtual screening

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

    Prof Mariangela Agamennone

  34. Identification of small molecules acting against H1N1 influenza A virus

    Article • Virology, January 2016, Elsevier

    Prof Mariangela Agamennone

  35. In vitro comparison of new bisphosphonic acids and zoledronate effects on human gingival fibroblasts viability, inflammation and matrix turnover

    Article • Clinical Oral Investigations, December 2015, Springer Science + Business Media

    Prof Mariangela Agamennone

  36. Phosphonate Emerging Zinc Binding Group in Matrix Metalloproteinase Inhibitors

    Article • Current Drug Targets, November 2015, Bentham Science Publishers

    Prof Mariangela Agamennone

  37. Non-Zinc-Binding Inhibitors of MMP-13: GRID-Based Approaches to Rationalize the Binding Process

    Article • Current Topics in Medicinal Chemistry, October 2015, Bentham Science Publishers

    Prof Mariangela Agamennone

  38. Investigation of the N-BP Binding at FPPS by Combined Computational Approaches

    Article • Medicinal Chemistry, June 2015, Bentham Science Publishers

    Prof Mariangela Agamennone

  39. PPARα agonists based on stilbene and its bioisosteres: biological evaluation and docking studies

    Article • MedChemComm, January 2015, Royal Society of Chemistry

    Prof Mariangela Agamennone

  40. Ac-tLeu-Asp-H is the minimal and highly effective human caspase-3 inhibitor: biological and in silico studies

    Article • Amino Acids, October 2014, Springer Science + Business Media

    Prof Mariangela Agamennone

  41. Arylamino methylene bisphosphonate derivatives as bone seeking matrix metalloproteinase inhibitors

    Article • Bioorganic & Medicinal Chemistry, November 2013, Elsevier

    Prof Mariangela Agamennone

  42. Probing the S1′ Site for the Identification of Non‐Zinc‐Binding MMP‐2 Inhibitors

    Article • ChemMedChem, July 2013, Wiley

    Prof Mariangela Agamennone

  43. Effects of Biphenyl Sulfonylamino Methyl Bisphosphonic Acids on Porphyromonas Gingivalis and Cytokine Secretion by Oral Epithelial Cells

    Article • Medicinal Chemistry, July 2013, Bentham Science Publishers

    Prof Mariangela Agamennone

  44. Amino Acid Derivatives as New Zinc Binding Groups for the Design of Selective Matrix Metalloproteinase Inhibitors

    Article • Journal of Amino Acids, March 2013, Hindawi Publishing Corporation

    Prof Mariangela Agamennone

  45. An Integrated Computational Approach to Rationalize the Activity of Non-Zinc-Binding MMP-2 Inhibitors

    Article • PLoS ONE, November 2012, PLOS

    Prof Mariangela Agamennone

  46. Bovine lactoferrin-derived peptides as novel broad-spectrum inhibitors of influenza virus

    Article • Pathogens and Global Health, March 2012, Taylor & Francis

    Prof Mariangela Agamennone

  47. Biphenyl Sulfonylamino Methyl Bisphosphonic Acids as Inhibitors of Matrix Metalloproteinases and Bone Resorption

    Article • ChemMedChem, March 2011, Wiley

    Prof Mariangela Agamennone

  48. Fragmenting the S100B-p53 Interaction: Combined Virtual/Biophysical Screening Approaches to Identify Ligands

    Article • ChemMedChem, February 2010, Wiley

    Professor Stefano Mangani, Prof Mariangela Agamennone

  49. Synthesis, SAR, and Biological Evaluation of α-Sulfonylphosphonic Acids as Selective Matrix Metalloproteinase Inhibitors

    Article • ChemMedChem, March 2009, Wiley

    Prof Mariangela Agamennone

  50. Peptidyl 3-substituted 1-hydroxyureas as isosteric analogues of succinylhydroxamate MMP inhibitors

    Article • European Journal of Medicinal Chemistry, May 2008, Elsevier

    Prof Mariangela Agamennone

  51. α-Biphenylsulfonylamino 2-methylpropyl phosphonates: Enantioselective synthesis and selective inhibition of MMPs

    Article • Bioorganic & Medicinal Chemistry, January 2007, Elsevier

    Prof Mariangela Agamennone

  52. Structural Insight into the Stereoselective Inhibition of MMP-8 by Enantiomeric Sulfonamide Phosphonates

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

    Prof Mariangela Agamennone

  53. N-Hydroxyurea as zinc binding group in matrix metalloproteinase inhibition: Mode of binding in a complex with MMP-8

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

    Prof Mariangela Agamennone

  54. AMBER force field implementation of the boronate function to simulate the inhibition of β-lactamases by alkyl and aryl boronic acids

    Article • European Journal of Medicinal Chemistry, November 2005, Elsevier

    Prof Mariangela Agamennone

  55. Synthesis and evaluation of new tripeptide phosphonate inhibitors of MMP-8 and MMP-2

    Article • European Journal of Medicinal Chemistry, March 2005, Elsevier

    Prof Mariangela Agamennone