PROF. NUNZIO IRACI


nunzio.iraci@unime.it

ID scopus: 14029917100

0906765827

Il Dott. Nunzio Iraci ha conseguito la laurea in Chimica e Tecnologia Farmaceutiche e il titolo di Dottore di Ricerca in Scienze Farmaceutiche presso l’Università degli Studi di Messina. 

Dopo essere stato Visiting Assistant in Research presso la Yale University, assegnista di ricerca e docente a contratto presso l’Università degli Studi di Perugia, Visiting Scholar presso la Boston University e assegnista di ricerca presso l’Università degli Studi della Basilicata, è oggi ricercatore (SSD CHIM/08 – Chimica Farmaceutica) e docente presso il Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali dell’Università degli Studi di Messina. 

La sua attività di ricerca verte principalmente sull’applicazione di metodiche di chimica computazionale allo studio di molecole di interesse biologico e farmaceutico. 

Il Dott. Iraci è, ad oggi (30/10/2023), co-autore di 57 pubblicazioni su riviste peer-reviewed a diffusione  internazionale (1803 citazioni), e ha un H-index di 31. (Fonte: Scopus)

PUBBLICAZIONI

  • Rossi, A., Stagno, C., Piperno, A., Iraci, N., Panseri, S., Montesi, M., Feizi-Dehnayebi, M., Bassi, G., Di Pietro, M.L., Micale, N. Anticancer activity and morphological analysis of Pt (II) complexes: Their DFT approach, docking simulation, and ADME-Tox profiling. Applied Organometallic Chemistry, 2024, 38 (5), art. no. e7403. DOI: 10.1002/aoc.7403
  • Akbari, Z., Stagno, C., Iraci, N., Efferth, T., Omer, E.A., Piperno, A., Montazerozohori, M., Feizi-Dehnayebi, M., Micale, N. Biological evaluation, DFT, MEP, HOMO-LUMO analysis and ensemble docking studies of Zn(II) complexes of bidentate and tetradentate Schiff base ligands as antileukemia agents. Journal of Molecular Structure, 2024, 1301, art. no. 137400. DOI: 10.1016/j.molstruc.2023.137400
  • Taghizadeh Shool, M., Amiri Rudbari, H., Cuevas-Vicario, J.V., Rodríguez-Rubio, A., Stagno, C., Iraci, N., Efferth, T., Omer, E.A., Schirmeister, T., Blacque, O., Moini, N., Sheibani, E., Micale, N. Investigating the Cytotoxicity of Ru(II) Polypyridyl Complexes by Changing the Electronic Structure of Salicylaldehyde Ligands. Inorganic Chemistry, 2024, 63 (2), pp. 1083-1101. DOI: 10.1021/acs.inorgchem.3c03414
  • Marsili, G., Acchioni, C., Remoli, A.L., Amatore, D., Sgarbanti, R., De Angelis, M., Orsatti, R., Acchioni, M., Astolfi, A., Iraci, N., Puzelli, S., Facchini, M., Perrotti, E., Cecchetti, V., Sabatini, S., Superti, F., Agamennone, M., Barreca, M.L., Hiscott, J., Nencioni, L., Sgarbanti, M. Identification of Anti-Influenza A Compounds Inhibiting the Viral Non-Structural Protein 1 (NS1) Using a Type I Interferon-Driven Screening Strategy. International Journal of Molecular Sciences, 2023, 24 (13), art. no. 10495. DOI: 10.3390/ijms241310495
  • Smeriglio, A., Iraci, N., Denaro, M., Mandalari, G., Giofrè, S.V., Trombetta, D. Synergistic Combination of Citrus Flavanones as Strong Antioxidant and COX-Inhibitor Agent. Antioxidants, 2023 12 (4), art. no. 972. DOI: 10.3390/antiox12040972
  • De Gaetano, F., Scala, A., Celesti, C., Lambertsen Larsen, K., Genovese, F., Bongiorno, C., Leggio, L., Iraci, N., Iraci, N., Mazzaglia, A., Ventura, C.A. Amphiphilic Cyclodextrin Nanoparticles as Delivery System for Idebenone: A Preformulation Study. Molecules, 2023, 28 (7), art. no. 3023. DOI: 10.3390/molecules28073023
  • Di Pietro, M.L., Stagno, C., Efferth, T., Omer, E.A., D’Angelo, V., Germanò, M.P., Cacciola, A., De Gaetano, F., Iraci, N., Micale, N. Antileukemia Activity and Mechanism of Platinum(II)-Based Metal Complexes. Molecules, 2022, 27 (24), art. no. 9000. DOI: 10.3390/molecules27249000
  • De Gaetano, F., Cristiano, M.C., Paolino, D., Celesti, C., Iannazzo, D., Pistarà, V., Iraci, N., Ventura, C.A. Bicalutamide Anticancer Activity Enhancement by Formulation of Soluble Inclusion Complexes with Cyclodextrins. Biomolecules, 2022, 12 (11), art. no. 1716. DOI: 10.3390/biom12111716
  • Musella, S., Carotenuto, L., Iraci, N., Baroli, G., Ciaglia, T., Nappi, P., Basilicata, M.G., Salviati, E., Barrese, V., Vestuto, V., Pignataro, G., Pepe, G., Sommella, E., Di Sarno, V., Manfra, M., Campiglia, P., Gomez-Monterrey, I., Bertamino, A., Taglialatela, M., Ostacolo, C., Miceli, F. Beyond Retigabine: Design, Synthesis, and Pharmacological Characterization of a Potent and Chemically Stable Neuronal Kv7 Channel Activator with Anticonvulsant Activity. Journal of Medicinal Chemistry, 2022, 65 (16), pp. 11340-11364. DOI: 10.1021/acs.jmedchem.2c00911
  • Iraci, N., Corsaro, C., Giofrè, S.V., Neri, G., Mezzasalma, A.M., Vacalebre, M., Speciale, A., Saija, A., Cimino, F., Fazio, E. Nanoscale Technologies in the Fight against COVID-19: From Innovative Nanomaterials to Computer-Aided Discovery of Potential Antiviral Plant-Derived Drugs. Biomolecules, 2022, 12 (8), art. no. 1060. DOI: 10.3390/biom12081060
  • Carbone, D., Vestuto, V., Ferraro, M.R., Ciaglia, T., Pecoraro, C., Sommella, E., Cascioferro, S., Salviati, E., Novi, S., Tecce, M.F., Amodio, G., Iraci, N., Cirrincione, G., Campiglia, P., Diana, P., Bertamino, A., Parrino, B., Ostacolo, C. Metabolomics-assisted discovery of a new anticancer GLS-1 inhibitor chemotype from a nortopsentin-inspired library: From phenotype screening to target identification. European Journal of Medicinal Chemistry, 2022, 234, art. no. 114233. DOI: 10.1016/j.ejmech.2022.114233
  • Iraci, N., Ostacolo, C., Medina-Peris, A., Ciaglia, T., Novoselov, A.M., Altieri, A., Cabañero, D., Fernandez-Carvajal, A., Campiglia, P., Gomez-Monterrey, I., Bertamino, A., Kurkin, A.V. In Vitro and In Vivo Pharmacological Characterization of a Novel TRPM8 Inhibitor Chemotype Identified by Small-Scale Preclinical Screening. International Journal of Molecular Sciences, 2022, 23 (4), art. no. 2070. DOI: 10.3390/ijms23042070
  • Ettari, R., Iraci, N., Di Chio, C., Previti, S., Danzè, M., Zappalà, M. Development of isoquinolinone derivatives as immunoproteasome inhibitors. Bioorganic and Medicinal Chemistry Letters, 2022, 55, art. no. 128478. DOI: 10.1016/j.bmcl.2021.128478
  • Sancineto, L., Ostacolo, C., Ortega-Alarcon, D., Jimenez-Alesanco, A., Ceballos-Laita, L., Vega, S., Abian, O., Velazquez-Campoy, A., Moretti, S., Dabrowska, A., Botwina, P., Synowiec, A., Kula-Pacurar, A., Pyrc, K., Iraci, N., Santi, C. L-Arginine Improves Solubility and ANTI SARS-CoV-2 Mpro Activity of Rutin but Not the Antiviral Activity in Cells. Molecules, 2021, 26 (19), art. no. 6062. DOI: 10.3390/molecules26196062.
  • Giofrè, S.V., Napoli, E., Iraci, N., Speciale, A., Cimino, F., Muscarà, C., Molonia, M.S., Ruberto, G., Saija, A. Interaction of selected terpenoids with two SARS-CoV-2 key therapeutic targets: An in silico study through molecular docking and dynamics simulations. Computers in Biology and Medicine, 2021, 134, art. no. 104538. DOI: 10.1016/j.compbiomed.2021.104538
  • Ostacolo, C., Miceli, F., Di Sarno, V., Nappi, P., Iraci, N., Soldovieri, M.V., Ciaglia, T., Ambrosino, P., Vestuto, V., Lauritano, A., Musella, S., Pepe, G., Basilicata, M.G., Manfra, M., Perinelli, D.R., Novellino, E., Bertamino, A., Gomez-Monterrey, I.M., Campiglia, P., Taglialatela, M. Synthesis and Pharmacological Characterization of Conformationally Restricted Retigabine Analogues as Novel Neuronal Kv7 Channel Activators. Journal of Medicinal Chemistry, 2020, 63 (1), pp. 163-185. DOI: 10.1021/acs.jmedchem.9b00796.
  • Krasowska, D., Iraci, N., Santi, C., Drabowicz, J., Cieslak, M., Kaźmierczak-Barańska, J., Palomba, M., Królewska-Golińska, K., Magiera, J., Sancineto, L. Diselenides and benzisoselenazolones as antiproliferative agents and glutathione-S-transferase inhibitors. Molecules, 2019, 24 (16), art. no. 2914. DOI: 10.3390/molecules24162914.
  • Albertini, B., Mathieu, V., Iraci, N., Van Woensel, M., Schoubben, A., Donnadio, A., Greco, S.M.L., Ricci, M., Temperini, A., Blasi, P., Wauthoz, N. Tumor Targeting by Peptide-Decorated Gold Nanoparticles. Molecular Pharmaceutics, 2019, 16 (6), pp. 2430-2444. DOI: 10.1021/acs.molpharmaceut.9b00047
  • Ambrosino, P., Freri, E., Castellotti, B., Soldovieri, M.V., Mosca, I., Manocchio, L., Gellera, C., Canafoglia, L., Franceschetti, S., Salis, B., Iraci, N., Miceli, F., Ragona, F., Granata, T., DiFrancesco, J.C., Taglialatela, M. Kv7.3 Compound Heterozygous Variants in Early Onset Encephalopathy Reveal Additive Contribution of C-Terminal Residues to PIP2-Dependent K+ Channel Gating. Molecular Neurobiology, 2018, 55 (8), pp. 7009-7024. DOI: 10.1007/s12035-018-0883-5
  • Bertamino, A., Iraci, N., Ostacolo, C., Ambrosino, P., Musella, S., Di Sarno, V., Ciaglia, T., Pepe, G., Sala, M., Soldovieri, M.V., Mosca, I., Gonzalez-Rodriguez, S., Fernandez-Carvajal, A., Ferrer-Montiel, A., Novellino, E., Taglialatela, M., Campiglia, P., Gomez-Monterrey, I. Identification of a Potent Tryptophan-Based TRPM8 Antagonist with in Vivo Analgesic Activity. Journal of Medicinal Chemistry, 2018, 61 (14), pp. 6140-6152. DOI: 10.1021/acs.jmedchem.8b00545
  • Ambrosino, P., Soldovieri, M.V., Bast, T., Turnpenny, P.D., Uhrig, S., Biskup, S., Döcker, M., Fleck, T., Mosca, I., Manocchio, L., Iraci, N., Taglialatela, M., Lemke, J.R. De novo gain-of-function variants in KCNT2 as a novel cause of developmental and epileptic encephalopathy. Annals of Neurology, 2018, 83 (6), pp. 1198-1204. DOI: 10.1002/ana.25248
  • Barreca, M.L., Iraci, N., Biggi, S., Cecchetti, V., Biasini, E. Pharmacological agents targeting the cellular prion protein. Pathogens, 2018, 7 (1), art. no. 27. DOI: 10.3390/pathogens7010027
  • Iraci, N., Tabarrini, O., Santi, C., Sancineto, L. NCp7: targeting a multitask protein for next-generation anti-HIV drug development part 2. Noncovalent inhibitors and nucleic acid binders. Drug Discovery Today, 2018, 23 (3), pp. 687-695. DOI: 10.1016/j.drudis.2018.01.022
  • Sancineto, L., Iraci, N., Tabarrini, O., Santi, C. NCp7: targeting a multitasking protein for next-generation anti-HIV drug development part 1: covalent inhibitors. Drug Discovery Today, 2018, 23 (2), pp. 260-271. DOI: 10.1016/j.drudis.2017.10.017
  • Alhindi, T., Zhang, Z., Ruelens, P., Coenen, H., Degroote, H., Iraci, N., Geuten, K. Protein interaction evolution from promiscuity to specificity with reduced flexibility in an increasingly complex network. Scientific Reports, 2017, 7, art. no. 44948. DOI: 10.1038/srep44948
  • Astolfi, A., Felicetti, T., Iraci, N., Manfroni, G., Massari, S., Pietrella, D., Tabarrini, O., Kaatz, G.W., Barreca, M.L., Sabatini, S., Cecchetti, V. Pharmacophore-Based Repositioning of Approved Drugs as Novel Staphylococcus aureus NorA Efflux Pump Inhibitors. Journal of Medicinal Chemistry, 2017, 60 (4), pp. 1598-1604. DOI: 10.1021/acs.jmedchem.6b01439
  • Soldovieri, M.V., Ambrosino, P., Mosca, I., De Maria, M., Moretto, E., Miceli, F., Alaimo, A., Iraci, N., Manocchio, L., Medoro, A., Passafaro, M., Taglialatela, M. Early-onset epileptic encephalopathy caused by a reduced sensitivity of Kv7.2 potassium channels to phosphatidylinositol 4,5-bisphosphate. Scientific Reports, 2016, 6, art. no. 38167. DOI: 10.1038/srep38167
  • Bertamino, A., Ostacolo, C., Ambrosino, P., Musella, S., Di Sarno, V., Ciaglia, T., Soldovieri, M.V., Iraci, N., Fernandez Carvajal, A., De La Torre-Martinez, R., Ferrer-Montiel, A., Gonzalez Muniz, R., Novellino, E., Taglialatela, M., Campiglia, P., Gomez-Monterrey, I. Tryptamine-Based Derivatives as Transient Receptor Potential Melastatin Type 8 (TRPM8) Channel Modulators. Journal of Medicinal Chemistry, 2016, 59 (5), pp. 2179-2191. DOI: 10.1021/acs.jmedchem.5b01914
  • Sancineto, L., Mariotti, A., Bagnoli, L., Marini, F., Desantis, J., Iraci, N., Santi, C., Pannecouque, C., Tabarrini, O. Design and Synthesis of DiselenoBisBenzamides (DISeBAs) as Nucleocapsid Protein 7 (NCp7) Inhibitors with anti-HIV Activity. Journal of Medicinal Chemistry, 2015, 58 (24), pp. 9601-9614. DOI: 10.1021/acs.jmedchem.5b01183
  • Albertini, B., Iraci, N., Schoubben, A., Giovagnoli, S., Ricci, M., Blasi, P., Rossi, C. β-cyclodextrin hinders PLGA plasticization during microparticle manufacturing. Journal of Drug Delivery Science and Technology, 2015, 30, pp. 375-383. DOI: 10.1016/j.jddst.2015.07.022
  • Iraci, N., Stincardini, C., Barreca, M.L., Biasini, E. Decoding the function of the N-terminal tail of the cellular prion protein to inspire novel therapeutic avenues for neurodegenerative diseases. Virus Research, 2015, 207, pp. 62-68. DOI: 10.1016/j.virusres.2014.10.015
  • Astolfi, A., Iraci, N., Sabatini, S., Barreca, M.L., Cecchetti, V. P38α MAPK and Type I inhibitors: Binding site analysis and use of target ensembles in virtual screening. Molecules, 2015, 20 (9), pp. 15842-15861. DOI: 10.3390/molecules200915842
  • Astolfi, A., Iraci, N., Manfroni, G., Barreca, M.L., Cecchetti, V. A comprehensive structural overview of p38α MAPK in complex with type I inhibitors. ChemMedChem, 2015, 10 (6), pp. 957-969. DOI: 10.1002/cmdc.201500030
  • Sancineto, L., Iraci, N., Barreca, M.L., Massari, S., Manfroni, G., Corazza, G., Cecchetti, V., Marcello, A., Daelemans, D., Pannecouque, C., Tabarrini, O. Exploiting the anti-HIV 6-desfluoroquinolones to design multiple ligands. Bioorganic and Medicinal Chemistry, 2014, 22 (17), pp. 4658-4666. DOI: 10.1016/j.bmc.2014.07.018
  • Manfroni, G., Manvar, D., Barreca, M.L., Kaushik-Basu, N., Leyssen, P., Paeshuyse, J., Cannalire, R., Iraci, N., Basu, A., Chudaev, M., Zamperini, C., Dreassi, E., Sabatini, S., Tabarrini, O., Neyts, J., Cecchetti, V. New pyrazolobenzothiazine derivatives as hepatitis C virus NS5B polymerase palm site I inhibitors. Journal of Medicinal Chemistry, 57 2014, (8), pp. 3247-3262. DOI: 10.1021/jm401688h
  • Manfroni, G., Cannalire, R., Barreca, M.L., Kaushik-Basu, N., Leyssen, P., Winquist, J., Iraci, N., Manvar, D., Paeshuyse, J., Guhamazumder, R., Basu, A., Sabatini, S., Tabarrini, O., Danielson, U.H., Neyts, J., Cecchetti, V. The Versatile Nature of the 6-Aminoquinolone Scaffold: Identification of Submicromolar Hepatitis C Virus NS5B Inhibitors. Journal of Medicinal Chemistry, 2014, 57 (5), pp. 1952-1963. DOI: 10.1021/jm401362f
  • Sgarbanti, M., Marsili, G., Remoli, A.L., Stellacci, E., Mai, A., Rotili, D., Perrotti, E., Acchioni, C., Orsatti, R., Iraci, N., Ferrari, M., Borsetti, A., Hiscott, J., Battistini, A. IκB kinase ε targets interferon regulatory factor 1 in activated T lymphocytes. Molecular and Cellular Biology, 2014, 34 (6), pp. 1054-1065. DOI: 10.1128/MCB.01161-13
  • Barreca, M.L., Iraci, N., Manfroni, G., Gaetani, R., Guercini, C., Sabatini, S., Tabarrini, O., Cecchetti, V. Accounting for target flexibility and water molecules by docking to ensembles of target structures: The HCV NS5B palm site I inhibitors case study. Journal of Chemical Information and Modeling, 2014, 54 (2), pp. 481-497. DOI: 10.1021/ci400367m
  • Sabatini, S., Gosetto, F., Iraci, N., Barreca, M.L., Massari, S., Sancineto, L., Manfroni, G., Tabarrini, O., Dimovska, M., Kaatz, G.W., Cecchetti, V. Re-evolution of the 2-phenylquinolines: Ligand-based design, synthesis, and biological evaluation of a potent new class of staphylococcus aureus NorA efflux pump inhibitors to combat antimicrobial resistance. Journal of Medicinal Chemistry, 2013, 56 (12), pp. 4975-4989. DOI: 10.1021/jm400262a
  • Sancineto, L., Massari, S., Iraci, N., Tabarrini, O. From small to powerful: The fragments universe and its ‘chem-appeal’. Current Medicinal Chemistry, 2013, 20 (11), pp. 1355-1381. DOI: 10.2174/09298673113209990111
  • Barreca, M.L., Manfroni, G., Leyssen, P., Winquist, J., Kaushik-Basu, N., Paeshuyse, J., Krishnan, R., Iraci, N., Sabatini, S., Tabarrini, O., Basu, A., Danielson, U.H., Neyts, J., Cecchetti, V. Structure-based discovery of pyrazolobenzothiazine derivatives as inhibitors of hepatitis C virus replication. Journal of Medicinal Chemistry, 2013, 56 (6), pp. 2270-2282. DOI: 10.1021/jm301643a
  • Sancineto, L., Iraci, N., Massari, S., Attanasio, V., Corazza, G., Barreca, M.L., Sabatini, S., Manfroni, G., Avanzi, N.R., Cecchetti, V., Pannecouque, C., Marcello, A., Tabarrini, O. Computer-aided design, synthesis and validation of 2-phenylquinazolinone fragments as CDK9 inhibitors with anti-HIV-1 tat-mediated transcription activity. ChemMedChem, 2013, 8 (12), pp. 1941-1953. DOI: 10.1002/cmdc.201300287
  • Shytaj, I.L., Norelli, S., Chirullo, B., Della Corte, A., Collins, M., Yalley-Ogunro, J., Greenhouse, J., Iraci, N., Acosta, E.P., Barreca, M.L., Lewis, M.G., Savarino, A. A highly intensified ART regimen induces long-term viral suppression and restriction of the viral reservoir in a simian AIDS model. PLoS Pathogens, 2012, 8 (6), art. no. e1002774. DOI: 10.1371/journal.ppat.1002774
  • Sabatini, S., Gosetto, F., Serritella, S., Manfroni, G., Tabarrini, O., Iraci, N., Brincat, J.P., Carosati, E., Villarini, M., Kaatz, G.W., Cecchetti, V. Pyrazolo[4,3-c ][1,2]benzothiazines 5,5-dioxide: A promising new class of staphylococcus aureus NorA efflux pump inhibitors. Journal of Medicinal Chemistry, 2012, 55 (7), pp. 3568-3572. DOI: 10.1021/jm201446h
  • Manfroni, G., Meschini, F., Barreca, M.L., Leyssen, P., Samuele, A., Iraci, N., Sabatini, S., Massari, S., Maga, G., Neyts, J., Cecchetti, V. Pyridobenzothiazole derivatives as new chemotype targeting the HCV NS5B polymerase. Bioorganic and Medicinal Chemistry, 2012, 20 (2), pp. 866-876. DOI: 10.1016/j.bmc.2011.11.061
  • Barreca, M.L., Iraci, N., Manfroni, G., Cecchetti, V. Allosteric inhibition of the hepatitis C virus NS5B polymerase: In silico strategies for drug discovery and development. Future Medicinal Chemistry, 2011, 3 (8), pp. 1027-1055. DOI: 10.4155/fmc.11.53
  • Lewis, M.G., Norelli, S., Collins, M., Barreca, M.L., Iraci, N., Chirullo, B., Yalley-Ogunro, J., Greenhouse, J., Titti, F., Garaci, E., Savarino, A. Response of a simian immunodeficiency virus (SIVmac251) to raltegravir: A basis for a new treatment for simian AIDS and an animal model for studying lentiviral persistence during antiretroviral therapy. Retrovirology, 2010, 7, art. no. 21. DOI: 10.1186/1742-4690-7-21
  • Monforte, A.-M., Logoteta, P., Luca, L.D., Iraci, N., Ferro, S., Maga, G., De Clercq, E., Pannecouque, C., Chimirri, A. Novel 1,3-dihydro-benzimidazol-2-ones and their analogues as potent non-nucleoside HIV-1 reverse transcriptase inhibitors. Bioorganic and Medicinal Chemistry, 2010, 18 (4), pp. 1702-1710. DOI: 10.1016/j.bmc.2009.12.059
  • Barreca, M.L., Iraci, N., De Luca, L., Chimirri, A. Induced-fit docking approach provides insight into the binding mode and mechanism of action of HIV-1 integrase inhibitors. ChemMedChem, 2009, 4 (9), pp. 1446-1456. DOI: 10.1002/cmdc.200900166
  • Monforte, A.-M., Logoteta, P., Ferro, S., Luca, L.D., Iraci, N., Maga, G., Clercq, E.D., Pannecouque, C., Chimirri, A. Design, synthesis, and structure-activity relationships of 1,3-dihydrobenzimidazol-2-one analogues as anti-HIV agents. Bioorganic and Medicinal Chemistry, 2009, 17 (16), pp. 5962-5967. DOI: 10.1016/j.bmc.2009.06.068
  • De Luca, L., Barreca, M.L., Ferro, S., Christ, F., Iraci, N., Gitto, R., Monforte, A.M., Debyser, Z., Chimirri, A. Pharmacophore-based discovery of small-molecule inhibitors of protein-protein interactions between HIV-1 integrase and cellular cofactor LEDGF/p75. ChemMedChem, 2009, 4 (8), pp. 1311-1316. DOI: 10.1002/cmdc.200900070
  • Ferro, S., De Luca, L., Barreca, M.L., Iraci, N., De Grazia, S., Christ, F., Witvrouw, M., Debyser, Z., Chimirri, A. Docking studies on a new human immunodeficiency virus integrase-Mg-DNA complex: phenyl ring exploration and synthesis of 1H-benzylindole derivatives through fluorine substitutions. Journal of medicinal chemistry, 2009, 52 (2), pp. 569-573. DOI: 10.1021/jm8009266
  • Stancanelli, R., Crupi, V., De Luca, L., Ficarra, P., Ficarra, R., Gitto, R., Guardo, M., Iraci, N., Majolino, D., Tommasini, S., Venuti, V. Improvement of water solubility of non-competitive AMPA receptor antagonists by complexation with β-cyclodextrin. Bioorganic and Medicinal Chemistry, 2008, 16 (18), pp. 8706-8712. DOI: 10.1016/j.bmc.2008.07.085
  • Monforte, A.-M., Rao, A., Logoteta, P., Ferro, S., De Luca, L., Barreca, M.L., Iraci, N., Maga, G., De Clercq, E., Pannecouque, C., Chimirri, A. Novel N1-substituted 1,3-dihydro-2H-benzimidazol-2-ones as potent non-nucleoside reverse transcriptase inhibitors. Bioorganic and Medicinal Chemistry, 2008, 16 (15), pp. 7429-7435. DOI: 10.1016/j.bmc.2008.06.012
  • De Luca, L., Barreca, M.L., Ferro, S., Iraci, N., Michiels, M., Christ, F., Debyser, Z., Witvrouw, M., Chimirri, A. A refined pharmacophore model for HIV-1 integrase inhibitors: Optimization of potency in the 1H-benzylindole series. Bioorganic and Medicinal Chemistry Letters, 2008, 18 (9), pp. 2891-2895. DOI: 10.1016/j.bmcl.2008.03.089
  • Barreca, M.L., Ortuso, F., Iraci, N., De Luca, L., Alcaro, S., Chimirri, A. Tn5 transposase as a useful platform to simulate HIV-1 integrase inhibitor binding mode. Biochemical and Biophysical Research Communications, 2007, 363 (3), pp. 554-560. DOI: 10.1016/j.bbrc.2007.08.199
  • Barreca, M.L., Rao, A., Luca, L.D., Iraci, N., Monforte, A.-M., Maga, G., Clercq, E.D., Pannecouque, C., Balzarini, J., Chimirri, A. Discovery of novel benzimidazolones as potent non-nucleoside reverse transcriptase inhibitors active against wild-type and mutant HIV-1 strains. Bioorganic and Medicinal Chemistry Letters, 2007, 17 (7), pp. 1956-1960. DOI: 10.1016/j.bmcl.2007.01.025
  • Barreca, M.L., De Luca, L., Iraci, N., Rao, A., Ferro, S., Maga, G., Chimirri, A. Structure-based pharmacophore identification of new chemical scaffolds as non-nucleoside reverse transcriptase inhibitors. Journal of Chemical Information and Modeling, 2007, 47 (2), pp. 557-562. DOI: 10.1021/ci600320q