???global.info.a_carregar???
Prof. Simona Distinto graduated in Pharmaceutical Chemistry and Technology at the University of Cagliari (UNICA) in 2002 and earned her PhD in Pharmaceutical Synthesis in 2006. After completing a postdoctoral 2years of fellowship in computational chemistry at the University of Catanzaro's Computational Chemistry Laboratory (6 months) and the University of Innsbruck's Computer-Aided Molecular Design (CAMD) group (18 months), she has been a researcher at University of Innsbruck (1 year) and Univesity of Catanzaro (28 months). She became a researcher at UNICA's Department of Life and Environmental Sciences in 2012, where she is now Associate Professor of Medicinal Chemistry. She leads the Computer Aided Drug Design (CADD) group. Her expertise is focused on the application of CADD methodologies in the early phases of drug development. She has been involved in and is now working on multiple projects that use various in silico methodologies to rationally develop novel compounds for a variety of targets, namely involved in viral infections, cancer, and neurodegenerative diseases. She has authored and coauthored 74 research publications (h-index 32, Scopus ID 25121530500).
Ler resumo completo ↓
Identificação

Identificação pessoal

Nome completo
SIMONA DISTINTO

Nomes de citação

  • DISTINTO, SIMONA

Identificadores de autor

Ciência ID
E918-FF36-1A59
ORCID iD
0000-0003-1620-6225
Scopus Author Id
25121530500

Telefones

Telefone
  • (+39) 0706758550 (Profissional)

Moradas

  • Cittadella Universitaria - s.p. 8 -Blocco A -piano Rialzato, 09042, Monserrato, Monserrato, Itália (Profissional)

Websites

Domínios de atuação

  • Ciências Médicas e da Saúde - Medicina Básica - Química Médica

Idiomas

Idioma Conversação Leitura Escrita Compreensão Peer-review
Italiano (Idioma materno)
Inglês Utilizador proficiente (C1) Utilizador proficiente (C1) Utilizador proficiente (C1) Utilizador proficiente (C1) Utilizador proficiente (C1)
Formação
Grau Classificação
2003/10/01 - 2006/02/24
Concluído
 Faculty of Pharmacy - University of Cagliari (Dottorato di Ricerca)
Especialização em Medicinal Chemistry
Università degli Studi di Cagliari, Itália
"Design, synthesis, and study of the biological activity of new monoamine oxidase inhibitors and new anti-Candida compounds" (TESE/DISSERTAÇÃO)
1996/10/01 - 2002/07/19
Concluído
 Course of Chemistry and Pharmaceutical Technologies - Faculty of Pharmacy (Magister)
Università degli Studi di Cagliari, Itália
"Synthesis and study of the biological activity of new phthalidratiazolic and phthalizoticazolinonic derivatives" (TESE/DISSERTAÇÃO)
Percurso profissional

Ciência

Categoria Profissional
Instituição de acolhimento 		Empregador
2009/09/01 - 2011/12/28 Investigador (Investigação) Università degli Studi di Catanzaro Magna Graecia Facoltà di Farmacia, Itália
Università degli Studi di Catanzaro Magna Graecia Facoltà di Farmacia, Itália
2008/08/01 - 2009/07/31 Investigador (Investigação) Universität Innsbruck Fakultät für Chemie und Pharmazie, Áustria
Universität Innsbruck Fakultät für Chemie und Pharmazie, Áustria

Docência no Ensino Superior

Categoria Profissional
Instituição de acolhimento 		Empregador
2017/04/29 - Atual Professor Associado (Docente Universitário) Università degli Studi di Cagliari, Itália
University of Cagliari - Department of Life and Environmental Sciences, Itália
2012/01/01 - 2017/04/29 Professor Auxiliar (Docente Universitário) Università degli Studi di Cagliari, Itália
Università degli Studi di Cagliari, Itália
Produções

Publicações

Artigo em revista
  1. Shiu-Wen Huang; Ming Jen Hsu; Hsiu-Chen Chen; Rita Meleddu; Simona Distinto; Elias Maccioni; Filippo Cottiglia. "Suppression of lipopolysaccharide-induced COX-2 expression via p38MAPK, JNK, and C/EBPß phosphorylation inhibition by furomagydarin A, a benzofuran glycoside from Magydaris pastinacea". Journal of Enzyme Inhibition and Medicinal Chemistry (2024): http://dx.doi.org/10.1080/14756366.2023.2287420.
    10.1080/14756366.2023.2287420
  2. Angela Corona; David Strayer; Simona Distinto; Gian Luca Daino; Annalaura Paulis; Enzo Tramontano; William M. Mitchell. "Ebola virus disease: In vivo protection provided by the PAMP restricted TLR3 agonist rintatolimod and its mechanism of action". Antiviral Research (2023): https://doi.org/10.1016/j.antiviral.2023.105554.
    10.1016/j.antiviral.2023.105554
  3. Corona, A.; Meleddu, R.; Delelis, O.; Subra, F.; Cottiglia, F.; Esposito, F.; Distinto, S.; Maccioni, E.; Tramontano, E.. "5-Nitro-3-(2-(4-phenylthiazol-2-yl)hydrazineylidene)indolin-2-one derivatives inhibit HIV-1 replication by a multitarget mechanism of action". Frontiers in Cellular and Infection Microbiology 13 (2023): http://www.scopus.com/inward/record.url?eid=2-s2.0-85164176015&partnerID=MN8TOARS.
    10.3389/fcimb.2023.1193280
  4. Sequeira, L.; Distinto, S.; Meleddu, R.; Gaspari, M.; Angeli, A.; Cottiglia, F.; Secci, D.; et al. "2H-chromene and 7H-furo-chromene derivatives selectively inhibit tumour associated human carbonic anhydrase IX and XII isoforms". Journal of Enzyme Inhibition and Medicinal Chemistry 38 1 (2023): http://www.scopus.com/inward/record.url?eid=2-s2.0-85174969512&partnerID=MN8TOARS.
    10.1080/14756366.2023.2270183
  5. Angela Corona; Elisa Fanunza; Cristiano Salata; Melody Jane Morwitzer; Simona Distinto; Luca Zinzula; Cinzia Sanna; et al. "Cynarin blocks Ebola virus replication by counteracting VP35 inhibition of interferon-beta production". Antiviral Research (2022): https://doi.org/10.1016/j.antiviral.2022.105251.
    10.1016/j.antiviral.2022.105251
  6. Rita Meleddu; Angela Corona; SIMONA DISTINTO; Filippo Cottiglia; Serenella Deplano; Lisa Sequeira; Daniela Secci; et al. "Exploring New Scaffolds for the Dual Inhibition of HIV-1 RT Polymerase and Ribonuclease Associated Functions". Molecules (2021): https://www.mdpi.com/1420-3049/26/13/3821.
    10.3390/molecules26133821
  7. "2-(2-Methyl-2-nitrovinyl)furan but Not Furvina Interfere with Staphylococcus aureus Agr Quorum-Sensing System and Potentiate the Action of Fusidic Acid against Biofilms". International Journal of Molecular Sciences 22 2 (2021): 613-613. http://dx.doi.org/10.3390/ijms22020613.
    10.3390/ijms22020613
  8. Benedetta Fois; Angela Corona; Enzo Tramontano; Simona Distinto; Elias Maccioni; Rita Meleddu; Pierluigi Caboni; Costantino Floris; Filippo Cottiglia. "Flavonoids and Acid-Hydrolysis derivatives of Neo-Clerodane diterpenes from Teucrium flavum subsp. glaucum as inhibitors of the HIV-1 reverse transcriptase–associated RNase H function". Journal of Enzyme Inhibition and Medicinal Chemistry 36 1 (2021): 749-757. https://doi.org/10.1080/14756366.2021.1887170.
    10.1080/14756366.2021.1887170
  9. Meleddu, R.; Deplano, S.; Maccioni, E.; Ortuso, F.; Cottiglia, F.; Secci, D.; Onali, A.; et al. "Selective inhibition of carbonic anhydrase IX and XII by coumarin and psoralen derivatives". Journal of Enzyme Inhibition and Medicinal Chemistry 36 1 (2021): 685-692. http://www.scopus.com/inward/record.url?eid=2-s2.0-85101192119&partnerID=MN8TOARS.
    10.1080/14756366.2021.1887171
  10. Rita Meleddu; Simona Distinto; Filippo Cottiglia; Rossella Angius; Pierluigi Caboni; Andrea Angeli; Claudia Melis; et al. "New Dihydrothiazole Benzensulfonamides: Looking for Selectivity toward Carbonic Anhydrase Isoforms I, II, IX, and XII". ACS Medicinal Chemistry Letters 11 5 (2020): 852-856. https://doi.org/10.1021/acsmedchemlett.9b00644.
    10.1021/acsmedchemlett.9b00644
  11. Fois, B.; Distinto, S.; Meleddu, R.; Deplano, S.; Maccioni, E.; Floris, C.; Rosa, A.; et al. "Coumarins from Magydaris pastinacea as inhibitors of the tumour-associated carbonic anhydrases IX and XII: isolation, biological studies and in silico evaluation". Journal of Enzyme Inhibition and Medicinal Chemistry 35 1 (2020): 539-548. http://www.scopus.com/inward/record.url?eid=2-s2.0-85077985459&partnerID=MN8TOARS.
    10.1080/14756366.2020.1713114
  12. Corona, A.; Ballana, E.; Distinto, S.; Rogolino, D.; Del Vecchio, C.; Carcelli, M.; Badia, R.; et al. "Targeting HIV-1 RNase H: N'-(2-Hydroxy-benzylidene)-3,4,5-Trihydroxybenzoylhydrazone as Selective Inhibitor Active against NNRTIs-Resistant Variants". Viruses 12 7 (2020): http://www.scopus.com/inward/record.url?eid=2-s2.0-85087668688&partnerID=MN8TOARS.
    10.3390/v12070729
  13. Fanunza, E.; Iampietro, M.; Distinto, S.; Corona, A.; Quartu, M.; MacCioni, E.; Horvat, B.; Tramontano, E.. "Quercetin blocks ebola virus infection by counteracting the VP24 Interferon-inhibitory function". Antimicrobial Agents and Chemotherapy 64 7 (2020): http://www.scopus.com/inward/record.url?eid=2-s2.0-85087096629&partnerID=MN8TOARS.
    10.1128/AAC.00530-20
  14. Sonar, V.P.; Fois, B.; Distinto, S.; Maccioni, E.; Meleddu, R.; Cottiglia, F.; Acquas, E.; et al. "Ferulic Acid Esters and Withanolides: In Search of Withania somnifera GABAA Receptor Modulators". Journal of Natural Products 82 5 (2019): 1250-1257. http://www.scopus.com/inward/record.url?eid=2-s2.0-85065122014&partnerID=MN8TOARS.
    10.1021/acs.jnatprod.8b01023
  15. Massari, S.; Corona, A.; Distinto, S.; Desantis, J.; Caredda, A.; Sabatini, S.; Manfroni, G.; et al. "From cycloheptathiophene-3-carboxamide to oxazinone-based derivatives as allosteric HIV-1 ribonuclease H inhibitors". Journal of Enzyme Inhibition and Medicinal Chemistry 34 1 (2019): 55-74. http://www.scopus.com/inward/record.url?eid=2-s2.0-85055444635&partnerID=MN8TOARS.
    10.1080/14756366.2018.1523901
  16. Distinto, S.; Meleddu, R.; Ortuso, F.; Cottiglia, F.; Deplano, S.; Sequeira, L.; Melis, C.; et al. "Exploring new structural features of the 4-[(3-methyl-4-aryl-2,3-dihydro-1,3-thiazol-2-ylidene)amino]benzenesulphonamide scaffold for the inhibition of human carbonic anhydrases". Journal of Enzyme Inhibition and Medicinal Chemistry 34 1 (2019): 1526-1533. http://www.scopus.com/inward/record.url?eid=2-s2.0-85071130359&partnerID=MN8TOARS.
    10.1080/14756366.2019.1654470
  17. Meleddu, R.; Petrikaite, V.; Distinto, S.; Arridu, A.; Angius, R.; Serusi, L.; Škarnulyte, L.; et al. "Investigating the Anticancer Activity of Isatin/Dihydropyrazole Hybrids". ACS Medicinal Chemistry Letters 10 4 (2019): 571-576. http://www.scopus.com/inward/record.url?eid=2-s2.0-85064350658&partnerID=MN8TOARS.
    10.1021/acsmedchemlett.8b00596
  18. Costa, G.; Rocca, R.; Corona, A.; Grandi, N.; Moraca, F.; Romeo, I.; Talarico, C.; et al. "Novel natural non-nucleoside inhibitors of HIV-1 reverse transcriptase identified by shape- and structure-based virtual screening techniques". European Journal of Medicinal Chemistry 161 (2019): 1-10. http://www.scopus.com/inward/record.url?eid=2-s2.0-85054924670&partnerID=MN8TOARS.
    10.1016/j.ejmech.2018.10.029
  19. Daino, G.L.; Frau, A.; Sanna, C.; Rigano, D.; Distinto, S.; Madau, V.; Esposito, F.; et al. "Identification of Myricetin as an Ebola Virus VP35-Double-Stranded RNA Interaction Inhibitor through a Novel Fluorescence-Based Assay". Biochemistry 57 44 (2018): 6367-6378. http://www.scopus.com/inward/record.url?eid=2-s2.0-85056231011&partnerID=MN8TOARS.
    10.1021/acs.biochem.8b00892
  20. Meleddu, R.; Distinto, S.; Cottiglia, F.; Angius, R.; Gaspari, M.; Taverna, D.; Melis, C.; et al. "Tuning the Dual Inhibition of Carbonic Anhydrase and Cyclooxygenase by Dihydrothiazole Benzensulfonamides". ACS Medicinal Chemistry Letters 9 10 (2018): 1045-1050. http://www.scopus.com/inward/record.url?eid=2-s2.0-85053926785&partnerID=MN8TOARS.
    10.1021/acsmedchemlett.8b00352
  21. Melis, C.; Distinto, S.; Bianco, G.; Meleddu, R.; Cottiglia, F.; Fois, B.; Taverna, D.; et al. "Targeting Tumor Associated Carbonic Anhydrases IX and XII: Highly Isozyme Selective Coumarin and Psoralen Inhibitors". ACS Medicinal Chemistry Letters 9 7 (2018): 725-729. http://www.scopus.com/inward/record.url?eid=2-s2.0-85048376781&partnerID=MN8TOARS.
    10.1021/acsmedchemlett.8b00170
  22. Esposito, F.; Mandrone, M.; Del Vecchio, C.; Carli, I.; Distinto, S.; Corona, A.; Lianza, M.; et al. "Multi-target activity of Hemidesmus indicus decoction against innovative HIV-1 drug targets and characterization of Lupeol mode of action". Pathogens and Disease 75 6 (2017): http://www.scopus.com/inward/record.url?eid=2-s2.0-85028585996&partnerID=MN8TOARS.
    10.1093/femspd/ftx065
  23. Fois, B.; Bianco, G.; Sonar, V.P.; Distinto, S.; Maccioni, E.; Meleddu, R.; Melis, C.; et al. "Phenylpropenoids from Bupleurum fruticosum as Anti-Human Rhinovirus Species A Selective Capsid Binders". Journal of Natural Products 80 10 (2017): 2799-2806. http://www.scopus.com/inward/record.url?eid=2-s2.0-85032585825&partnerID=MN8TOARS.
    10.1021/acs.jnatprod.7b00648
  24. Rocca, R.; Moraca, F.; Costa, G.; Nadai, M.; Scalabrin, M.; Talarico, C.; Distinto, S.; et al. "Identification of G-quadruplex DNA/RNA binders: Structure-based virtual screening and biophysical characterization". Biochimica et Biophysica Acta - General Subjects 1861 5 (2017): 1329-1340. http://www.scopus.com/inward/record.url?eid=2-s2.0-85009454668&partnerID=MN8TOARS.
    10.1016/j.bbagen.2016.12.023
  25. Meleddu, R.; Distinto, S.; Corona, A.; Tramontano, E.; Bianco, G.; Melis, C.; Cottiglia, F.; Maccioni, E.. "Isatin thiazoline hybrids as dual inhibitors of HIV-1 reverse transcriptase". Journal of Enzyme Inhibition and Medicinal Chemistry 32 1 (2017): 130-136. http://www.scopus.com/inward/record.url?eid=2-s2.0-85027942339&partnerID=MN8TOARS.
    10.1080/14756366.2016.1238366
  26. Sonar, V.P.; Corona, A.; Distinto, S.; Maccioni, E.; Meleddu, R.; Fois, B.; Floris, C.; et al. "Natural product-inspired esters and amides of ferulic and caffeic acid as dual inhibitors of HIV-1 reverse transcriptase". European Journal of Medicinal Chemistry 130 (2017): 248-260. http://www.scopus.com/inward/record.url?eid=2-s2.0-85014011651&partnerID=MN8TOARS.
    10.1016/j.ejmech.2017.02.054
  27. Melis, C.; Meleddu, R.; Angeli, A.; Distinto, S.; Bianco, G.; Capasso, C.; Cottiglia, F.; et al. "Isatin: A privileged scaffold for the design of carbonic anhydrase inhibitors". Journal of Enzyme Inhibition and Medicinal Chemistry 32 1 (2017): 68-73. http://www.scopus.com/inward/record.url?eid=2-s2.0-85013867401&partnerID=MN8TOARS.
    10.1080/14756366.2016.1235042
  28. Corona, A.; Onnis, V.; Deplano, A.; Bianco, G.; Demurtas, M.; Distinto, S.; Cheng, Y.-C.; et al. "Design, synthesis and antiviral evaluation of novel heteroarylcarbothioamide derivatives as dual inhibitors of HIV-1 reverse transcriptase-associated RNase H and RDDP functions". Pathogens and Disease 75 6 (2017): http://www.scopus.com/inward/record.url?eid=2-s2.0-85028598973&partnerID=MN8TOARS.
    10.1093/femspd/ftx078
  29. Bianco, G.; Meleddu, R.; Distinto, S.; Cottiglia, F.; Gaspari, M.; Melis, C.; Corona, A.; et al. "N-Acylbenzenesulfonamide Dihydro-1,3,4-oxadiazole Hybrids: Seeking Selectivity toward Carbonic Anhydrase Isoforms". ACS Medicinal Chemistry Letters 8 8 (2017): 792-796. http://www.scopus.com/inward/record.url?eid=2-s2.0-85027227671&partnerID=MN8TOARS.
    10.1021/acsmedchemlett.7b00205
  30. Meleddu, R.; Distinto, S.; Cirilli, R.; Alcaro, S.; Yanez, M.; Sanna, M.L.; Corona, A.; et al. "Through scaffold modification to 3,5-diaryl-4,5-dihydroisoxazoles: new potent and selective inhibitors of monoamine oxidase B". Journal of Enzyme Inhibition and Medicinal Chemistry 32 1 (2017): 264-270. http://www.scopus.com/inward/record.url?eid=2-s2.0-85015598214&partnerID=MN8TOARS.
    10.1080/14756366.2016.1247061
  31. Distinto, S.; Meleddu, R.; Yanez, M.; Cirilli, R.; Bianco, G.; Sanna, M.L.; Arridu, A.; et al. "Drug design, synthesis, in vitro and in silico evaluation of selective monoaminoxidase B inhibitors based on 3-acetyl-2-dichlorophenyl-5-aryl-2,3-dihydro-1,3,4-oxadiazole chemical scaffold". European Journal of Medicinal Chemistry 108 (2016): 542-552. http://www.scopus.com/inward/record.url?eid=2-s2.0-84951310573&partnerID=MN8TOARS.
    10.1016/j.ejmech.2015.12.026
  32. Esposito, F.; Carli, I.; Del Vecchio, C.; Xu, L.; Corona, A.; Grandi, N.; Piano, D.; et al. "Sennoside A, derived from the traditional chinese medicine plant Rheum L., is a new dual HIV-1 inhibitor effective on HIV-1 replication". Phytomedicine 23 12 (2016): 1383-1391. http://www.scopus.com/inward/record.url?eid=2-s2.0-84982152610&partnerID=MN8TOARS.
    10.1016/j.phymed.2016.08.001
  33. Rocca, R.; Costa, G.; Artese, A.; Parrotta, L.; Ortuso, F.; Maccioni, E.; Pinato, O.; et al. "Hit Identification of a Novel Dual Binder for h-telo/c-myc G-Quadruplex by a Combination of Pharmacophore Structure-Based Virtual Screening and Docking Refinement". ChemMedChem (2016): 1721-1733. http://www.scopus.com/inward/record.url?eid=2-s2.0-84983287872&partnerID=MN8TOARS.
    10.1002/cmdc.201600053
  34. Corona, A.; Desantis, J.; Massari, S.; Distinto, S.; Masaoka, T.; Sabatini, S.; Esposito, F.; et al. "Studies on Cycloheptathiophene-3-carboxamide Derivatives as Allosteric HIV-1 Ribonuclease H Inhibitors". ChemMedChem (2016): 1709-1720. http://www.scopus.com/inward/record.url?eid=2-s2.0-84983294475&partnerID=MN8TOARS.
    10.1002/cmdc.201600015
  35. Meleddu, R.; Distinto, S.; Corona, A.; Maccioni, E.; Arridu, A.; Melis, C.; Bianco, G.; et al. "Exploring the thiazole scaffold for the identification of new agents for the treatment of fluconazole resistant Candida". Journal of Enzyme Inhibition and Medicinal Chemistry 31 6 (2016): 1672-1677. http://www.scopus.com/inward/record.url?eid=2-s2.0-84953721111&partnerID=MN8TOARS.
    10.3109/14756366.2015.1113171
  36. Corona, A.; Meleddu, R.; Esposito, F.; Distinto, S.; Bianco, G.; Masaoka, T.; Maccioni, E.; et al. "Ribonuclease H/DNA polymerase HIV-1 reverse transcriptase dual inhibitor: Mechanistic studies on the allosteric mode of action of isatin-based compound RMNC6". PLoS ONE 11 1 (2016): http://www.scopus.com/inward/record.url?eid=2-s2.0-84958212843&partnerID=MN8TOARS.
    10.1371/journal.pone.0147225
  37. Meleddu, R.; Distinto, S.; Corona, A.; Bianco, G.; Cannas, V.; Esposito, F.; Artese, A.; et al. "(3Z)-3-(2-[4-(aryl)-1,3-thiazol-2-yl]hydrazin-1-ylidene)-2,3-dihydro- 1H -indol-2-one derivatives as dual inhibitors of HIV-1 reverse transcriptase". European Journal of Medicinal Chemistry 93 (2015): 452-460. http://www.scopus.com/inward/record.url?eid=2-s2.0-84923601270&partnerID=MN8TOARS.
    10.1016/j.ejmech.2015.02.032
  38. Ruiu, S.; Anzani, N.; Orrü, A.; Floris, C.; Caboni, P.; Alcaro, S.; MacCioni, E.; Distinto, S.; Cottiglia, F.. "Methoxyflavones from Stachys glutinosa with binding affinity to opioid receptors: In silico, in vitro, and in vivo studies". Journal of Natural Products 78 1 (2015): 69-76. http://www.scopus.com/inward/record.url?eid=2-s2.0-84921633375&partnerID=MN8TOARS.
    10.1021/np500671v
  39. Rocca, R.; Moraca, F.; Costa, G.; Alcaro, S.; Distinto, S.; Maccioni, E.; Ortuso, F.; Artese, A.; Parrotta, L.. "Structure-based virtual screening of novel natural alkaloid derivatives as potential binders of h-telo and c-myc DNA G-quadruplex conformations". Molecules 20 1 (2015): 206-223. http://www.scopus.com/inward/record.url?eid=2-s2.0-84921446254&partnerID=MN8TOARS.
    10.3390/molecules20010206
  40. Meleddu, R.; Maccioni, E.; Distinto, S.; Bianco, G.; Melis, C.; Alcaro, S.; Cottiglia, F.; Ceruso, M.; Supuran, C.T.. "New 4-[(3-cyclohexyl-4-aryl-2,3-dihydro-1,3-thiazol-2-ylidene)amino]benzene-1-sulfonamides, synthesis and inhibitory activity toward carbonic anhydrase I, II, IX, XII". Bioorganic and Medicinal Chemistry Letters 25 16 (2015): 3281-3284. http://www.scopus.com/inward/record.url?eid=2-s2.0-84934870875&partnerID=MN8TOARS.
    10.1016/j.bmcl.2015.05.076
  41. Meleddu, R.; Cannas, V.; Distinto, S.; Sarais, G.; Del Vecchio, C.; Esposito, F.; Bianco, G.; et al. "Design, synthesis, and biological evaluation of 1,3-diarylpropenones as dual inhibitors of HIV-1 reverse transcriptase". ChemMedChem 9 8 (2014): 1869-1879. http://www.scopus.com/inward/record.url?eid=2-s2.0-84905216702&partnerID=MN8TOARS.
    10.1002/cmdc.201402015
  42. Ruiu, S.; Anzani, N.; Orrù, A.; Floris, C.; Caboni, P.; Maccioni, E.; Distinto, S.; Alcaro, S.; Cottiglia, F.. "N-Alkyl dien- and trienamides from the roots of Otanthus maritimus with binding affinity for opioid and cannabinoid receptors". Bioorganic and Medicinal Chemistry 21 22 (2013): 7074-7082. http://www.scopus.com/inward/record.url?eid=2-s2.0-84885868651&partnerID=MN8TOARS.
    10.1016/j.bmc.2013.09.017
  43. Artese, A.; Cross, S.; Costa, G.; Distinto, S.; Parrotta, L.; Alcaro, S.; Ortuso, F.; Cruciani, G.. "Molecular interaction fields in drug discovery: Recent advances and future perspectives". Wiley Interdisciplinary Reviews: Computational Molecular Science 3 6 (2013): 594-613. http://www.scopus.com/inward/record.url?eid=2-s2.0-84886295734&partnerID=MN8TOARS.
    10.1002/wcms.1150
  44. Distinto, S.; Maccioni, E.; Meleddu, R.; Corona, A.; Alcaro, S.; Tramontano, E.. "Molecular aspects of the RT/drug interactions. Perspective of dual inhibitors". Current Pharmaceutical Design 19 10 (2013): 1850-1859. http://www.scopus.com/inward/record.url?eid=2-s2.0-84876709287&partnerID=MN8TOARS.
    10.2174/1381612811319100009
  45. Alcaro, S.; Musetti, C.; Distinto, S.; Casatti, M.; Zagotto, G.; Artese, A.; Parrotta, L.; et al. "Identification and characterization of new DNA G-quadruplex binders selected by a combination of ligand and structure-based virtual screening approaches". Journal of Medicinal Chemistry 56 3 (2013): 843-855. http://www.scopus.com/inward/record.url?eid=2-s2.0-84873894447&partnerID=MN8TOARS.
    10.1021/jm3013486
  46. Cardia, M.C.; Sanna, M.L.; Meleddu, R.; Distinto, S.; Yañez, M.; Viña, D.; Lamela, M.; Maccioni, E.. "A novel series of 3,4-disubstituted dihydropyrazoles: Synthesis and evaluation for MAO enzyme inhibition". Journal of Heterocyclic Chemistry 50 SUPPL.1 (2013): http://www.scopus.com/inward/record.url?eid=2-s2.0-84876943521&partnerID=MN8TOARS.
    10.1002/jhet.1072
  47. Artese, A.; Costa, G.; Distinto, S.; Moraca, F.; Ortuso, F.; Parrotta, L.; Alcaro, S.. "Toward the design of new DNA G-quadruplex ligands through rational analysis of polymorphism and binding data". European Journal of Medicinal Chemistry 68 (2013): 139-149. http://www.scopus.com/inward/record.url?eid=2-s2.0-84884493796&partnerID=MN8TOARS.
    10.1016/j.ejmech.2013.07.022
  48. Cross, S.; Ortuso, F.; Baroni, M.; Costa, G.; Distinto, S.; Moraca, F.; Alcaro, S.; Cruciani, G.. "GRID-based three-dimensional pharmacophores II: Pharmbench, a benchmark data set for evaluating pharmacophore elucidation methods". Journal of Chemical Information and Modeling 52 10 (2012): 2599-2608. http://www.scopus.com/inward/record.url?eid=2-s2.0-84867812471&partnerID=MN8TOARS.
    10.1021/ci300154n
  49. Alcaro, S.; Costa, G.; Distinto, S.; Moraca, F.; Ortuso, F.; Parrotta, L.; Artese, A.. "The polymorphisms of DNA G-quadruplex investigated by docking experiments with telomestatin enantiomers". Current Pharmaceutical Design 18 14 (2012): 1873-1879. http://www.scopus.com/inward/record.url?eid=2-s2.0-84860143899&partnerID=MN8TOARS.
    10.2174/138161212799958495
  50. Distinto, S.; Esposito, F.; Kirchmair, J.; Cardia, M.C.; Gaspari, M.; MacCioni, E.; Alcaro, S.; et al. "Identification of HIV-1 reverse transcriptase dual inhibitors by a combined shape-, 2D-fingerprint- and pharmacophore-based virtual screening approach". European Journal of Medicinal Chemistry 50 (2012): 216-229. http://www.scopus.com/inward/record.url?eid=2-s2.0-84858440068&partnerID=MN8TOARS.
    10.1016/j.ejmech.2012.01.056
  51. Distinto, S.; Yáñez, M.; Alcaro, S.; Cardia, M.C.; Gaspari, M.; Sanna, M.L.; Meleddu, R.; et al. "Synthesis and biological assessment of novel 2-thiazolylhydrazones and computational analysis of their recognition by monoamine oxidase B". European Journal of Medicinal Chemistry 48 (2012): 284-295. http://www.scopus.com/inward/record.url?eid=2-s2.0-84855994429&partnerID=MN8TOARS.
    10.1016/j.ejmech.2011.12.027
  52. Esposito, F.; Kharlamova, T.; Distinto, S.; Zinzula, L.; Cheng, Y.-C.; Dutschman, G.; Floris, G.; et al. "Alizarine derivatives as new dual inhibitors of the HIV-1 reverse transcriptase-associated DNA polymerase and RNase H activities effective also on the RNase H activity of non-nucleoside resistant reverse transcriptases". FEBS Journal 278 9 (2011): 1444-1457. http://www.scopus.com/inward/record.url?eid=2-s2.0-79955072485&partnerID=MN8TOARS.
    10.1111/j.1742-4658.2011.08057.x
  53. Kirchmair, J.; Distinto, S.; Liedl, K.R.; Markt, P.; Rollinger, J.M.; Schuster, D.; Spitzer, G.M.; Wolber, G.. "Development of anti-viral agents using molecular modeling and virtual screening techniques". Infectious Disorders - Drug Targets 11 1 (2011): 64-93. http://www.scopus.com/inward/record.url?eid=2-s2.0-79551625508&partnerID=MN8TOARS.
  54. MacCioni, E.; Alcaro, S.; Cirilli, R.; Vigo, S.; Cardia, M.C.; Sanna, M.L.; Meleddu, R.; et al. "3-Acetyl-2,5-diaryl-2,3-dihydro-1,3,4-oxadiazoles: A new scaffold for the selective inhibition of monoamine oxidase B". Journal of Medicinal Chemistry 54 18 (2011): 6394-6398. http://www.scopus.com/inward/record.url?eid=2-s2.0-80052785419&partnerID=MN8TOARS.
    10.1021/jm2002876
  55. Alcaro, S.; Artese, A.; Costa, G.; Distinto, S.; Ortuso, F.; Parrotta, L.. "Conformational studies and solvent-accessible surface area analysis of known selective DNA G-Quadruplex binders". Biochimie 93 8 (2011): 1267-1274. http://www.scopus.com/inward/record.url?eid=2-s2.0-79960697965&partnerID=MN8TOARS.
    10.1016/j.biochi.2011.06.014
  56. MacCioni, E.; Alcaro, S.; Orallo, F.; Cardia, M.C.; Distinto, S.; Costa, G.; Yanez, M.; et al. "Synthesis of new 3-aryl-4,5-dihydropyrazole-1-carbothioamide derivatives. An investigation on their ability to inhibit monoamine oxidase". European Journal of Medicinal Chemistry 45 10 (2010): 4490-4498. http://www.scopus.com/inward/record.url?eid=2-s2.0-77956184314&partnerID=MN8TOARS.
    10.1016/j.ejmech.2010.07.009
  57. Chimenti, F.; Secci, D.; Bolasco, A.; Chimenti, P.; Granese, A.; Carradori, S.; MacCioni, E.; et al. "Synthesis, semipreparative HPLC separation, biological evaluation, and 3D-QSAR of hydrazothiazole derivatives as human monoamine oxidase B inhibitors". Bioorganic and Medicinal Chemistry 18 14 (2010): 5063-5070. http://www.scopus.com/inward/record.url?eid=2-s2.0-77955325332&partnerID=MN8TOARS.
    10.1016/j.bmc.2010.05.070
  58. Schuster, D.; Waltenberger, B.; Kirchmair, J.; Distinto, S.; Markt, P.; Stuppner, H.; Rollinger, J.M.; Wolber, G.. "Predicting cyclooxygenase inhibition by three-dimensional pharmacophoric profiling. Part I: Model generation, validation and applicability in ethnopharmacology". Molecular Informatics 29 1-2 (2010): 75-86. http://www.scopus.com/inward/record.url?eid=2-s2.0-77952618924&partnerID=MN8TOARS.
    10.1002/minf.200900071
  59. Markt, P.; Feldmann, C.; Rollinger, J.M.; Raduner, S.; Schuster, D.; Kirchmair, J.; Distinto, S.; et al. "Discovery of novel CB2 receptor ligands by a pharmacophore-based virtual screening workflow". Journal of Medicinal Chemistry 52 2 (2009): 369-378. http://www.scopus.com/inward/record.url?eid=2-s2.0-60549116718&partnerID=MN8TOARS.
    10.1021/jm801044g
  60. Tiikkainen, P.; Markt, P.; Wolber, G.; Kirchmair, J.; Distinto, S.; Poso, A.; Kallioniemi, O.. "Critical comparison of virtual screening methods against the MUV data set". Journal of Chemical Information and Modeling 49 10 (2009): 2168-2178. http://www.scopus.com/inward/record.url?eid=2-s2.0-70350501165&partnerID=MN8TOARS.
    10.1021/ci900249b
  61. Cardia, M.C.; Distinto, S.; Maccioni, E.; Plumitallo, A.; Sanna, L.; Sanna, M.L.; Vigo, S.. "Synthesis and characterization of new phthalhydrazothiazole derivatives: A preliminary investigation on their activity against hepatocellular carcinoma". Journal of Heterocyclic Chemistry 46 4 (2009): 674-679. http://www.scopus.com/inward/record.url?eid=2-s2.0-67749131045&partnerID=MN8TOARS.
    10.1002/jhet.138
  62. Kirchmair, J.; Distinto, S.; Markt, P.; Schuster, D.; Spitzer, G.M.; Liedl, K.R.; Wolber, G.. "How to optimize shape-based virtual screening: Choosing the right query and including chemical information". Journal of Chemical Information and Modeling 49 3 (2009): 678-692. http://www.scopus.com/inward/record.url?eid=2-s2.0-65249089058&partnerID=MN8TOARS.
    10.1021/ci8004226
  63. Kirchmair, J.; Markt, P.; Distinto, S.; Schuster, D.; Spitzer, G.M.; Liedl, K.R.; Langer, T.; Wolber, G.. "The Protein Data Bank (PDB), its related services and software tools as key components for in silico guided drug discovery". Journal of Medicinal Chemistry 51 22 (2008): 7021-7040. http://www.scopus.com/inward/record.url?eid=2-s2.0-57149136433&partnerID=MN8TOARS.
    10.1021/jm8005977
  64. Markt, P.; Petersen, R.K.; Flindt, E.N.; Kristiansen, K.; Kirchmair, J.; Spitzer, G.; Distinto, S.; et al. "Discovery of novel PPAR ligands by a virtual screening approach based on pharmacophore modeling, 3D shape, and electrostatic similarity screening". Journal of Medicinal Chemistry 51 20 (2008): 6303-6317. http://www.scopus.com/inward/record.url?eid=2-s2.0-54549092767&partnerID=MN8TOARS.
    10.1021/jm800128k
  65. Markt, P.; McGoohan, C.; Walker, B.; Kirchmair, J.; Feldmann, C.; De Martino, G.; Spitzer, G.; et al. "Discovery of novel cathepsin S inhibitors by pharmacophore-based virtual high-throughput screening". Journal of Chemical Information and Modeling 48 8 (2008): 1693-1705. http://www.scopus.com/inward/record.url?eid=2-s2.0-52049118326&partnerID=MN8TOARS.
    10.1021/ci800101j
  66. Kirchmair, J.; Distinto, S.; Schuster, D.; Spitzer, G.; Langer, T.; Wolber, G.. "Enhancing drug discovery through in silico screening: Strategies to increase true positives retrieval rates". Current Medicinal Chemistry 15 20 (2008): 2040-2053. http://www.scopus.com/inward/record.url?eid=2-s2.0-53349142711&partnerID=MN8TOARS.
    10.2174/092986708785132843
  67. Kirchmair, J.; Markt, P.; Distinto, S.; Wolber, G.; Langer, T.. "Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection - What can we learn from earlier mistakes?". Journal of Computer-Aided Molecular Design 22 3-4 (2008): 213-228. http://www.scopus.com/inward/record.url?eid=2-s2.0-41349106585&partnerID=MN8TOARS.
    10.1007/s10822-007-9163-6
  68. Chimenti, F.; Bizzarri, B.; Maccioni, E.; Secci, D.; Bolasco, A.; Fioravanti, R.; Chimenti, P.; et al. "Synthesis and in vitro activity of 2-thiazolylhydrazone derivatives compared with the activity of clotrimazole against clinical isolates of Candida spp.". Bioorganic and Medicinal Chemistry Letters 17 16 (2007): 4635-4640. http://www.scopus.com/inward/record.url?eid=2-s2.0-34447334808&partnerID=MN8TOARS.
    10.1016/j.bmcl.2007.05.078
  69. Chimenti, F.; Maccioni, E.; Secci, D.; Bolasco, A.; Chimenti, P.; Granese, A.; Befani, O.; et al. "Selective inhibitory activity against MAO and molecular modeling studies of 2-thiazolylhydrazone derivatives". Journal of Medicinal Chemistry 50 4 (2007): 707-712. http://www.scopus.com/inward/record.url?eid=2-s2.0-33847420851&partnerID=MN8TOARS.
    10.1021/jm060869d
  70. Cardia, M.C.; Distinto, S.; Maccioni, E.; Plumitallo, A.; Saddi, M.; Sanna, M.L.; DeLogu, A.. "Isonicotinoylhydrazothiazoles and isonicotinoyl-N4-substituted thiosemicarbazides: Synthesis, characterization, and anti-mycobacterial activity". Journal of Heterocyclic Chemistry 43 5 (2006): 1337-1342. http://www.scopus.com/inward/record.url?eid=2-s2.0-33750938630&partnerID=MN8TOARS.
    10.1002/jhet.5570430529
  71. Chimenti, F.; Maccioni, E.; Secci, D.; Bolasco, A.; Chimenti, P.; Granese, A.; Befani, O.; et al. "Synthesis, molecular modeling studies, and selective inhibitory activity against monoamine oxidase of 1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)- pyrazole derivatives". Journal of Medicinal Chemistry 48 23 (2005): 7113-7122. http://www.scopus.com/inward/record.url?eid=2-s2.0-28544443174&partnerID=MN8TOARS.
    10.1021/jm040903t
  72. Plumitallo, A.; Cardia, M.C.; Distinto, S.; DeLogu, A.; Maccioni, E.. "Synthesis and anti-microbial activity evaluation of some new 1-benzoyl-isothiosemicarbazides". Farmaco 59 12 (2004): 945-952. http://www.scopus.com/inward/record.url?eid=2-s2.0-10344222112&partnerID=MN8TOARS.
    10.1016/j.farmac.2004.07.012
  73. Cardia, M.C.; Distinto, S.; Maccioni, E.; Bonsignore, L.; DeLogu, A.. "Synthesis and Biological Activity Evaluation of Differently Substituted 1,4-Dioxo-3,4-dihydrophthalazine-2(1H)-carboxamides and -carbothioamides". Journal of Heterocyclic Chemistry 40 6 (2003): 1011-1015. http://www.scopus.com/inward/record.url?eid=2-s2.0-0347087375&partnerID=MN8TOARS.
  74. Maccioni, E.; Cardia, M.C.; Distinto, S.; Bonsignore, L.; De Logu, A.. "An investigation of the biological effect of structural modifications of isothiosemicarbazones and their cyclic analogues". Farmaco 58 9 (2003): 951-959. http://www.scopus.com/inward/record.url?eid=2-s2.0-0141788008&partnerID=MN8TOARS.
    10.1016/S0014-827X(03)00154-X