PUBLICATIONS

2024

• Desantis J, Bazzacco A, Eleuteri M, Tuci S, Bianconi E, Macchiarulo A, Mercorelli B, Loregian A. Goracci L. Design, synthesis, and biological evaluation of first-in-class indomethacin-based PROTACs degrading SARS-CoV-2 main protease and with broad-spectrum antiviral activity. Eur J Med Chem, 2024, 268, art. no. 116202

• Ceccarelli G, Goracci L, Carotti A, Paccoia F, Passeri D, Cipolloni M, Di Bona S, Cruciani G, Pellicciari R, Gioiello A. Discovery and Structure-Activity Relationships of Novel ssDAF-12 Receptor Modulators. J Med Chem. 2024, 67 (5), 4150-4169.

• Eleuteri M, Desantis J, Cruciani G, Germani R, Goracci L. Use of ionic liquids in amidation reactions for proteolysis targeting chimera synthesis. OBC, 2024, 22 (17), 3477-3489.

• Goracci L, Tiberi P, Di Bona S, Bonciarelli S, Passeri GI, Piroddi M, Moretti S, Volpi C, Zamora I, Cruciani G. MARS: A Multipurpose Software for Untargeted LC-MS-Based Metabolomics and Exposomics, Anal Chem. 2024 96 (4), 1468-1477.

• Varfaj I, Abualzulof GWA, Moretti S, Migni A, Uda I, Goracci L, Ianni F, Carotti A, Sardella R. Development of an easy-to-set-up multiple heart-cutting achiral–chiral LC–LC method for the analysis of branched-chain amino acids in commercial tablets. Electrophoresis. 2024, 45 (11-12),1041-1053.

• Caroppo ES, Stingeni L, Goracci L, Moretti S, Marietti R, Bianchi L, Tramontana M, Hansel K. Wireless over-ear headphones: A new source of allergic contact dermatitis to isothiazolinones, Contact Dermatitis, 2024, 90 (6),621-625.

• Guerra IMS, Ferreira HB, Maurício T, Pinho M, Diogo L, Moreira S, Goracci L, Bonciarelli S, Melo T, Domingues P, Domingues MR, Moreira ASP. Plasma lipidomics analysis reveals altered profile of triglycerides and phospholipids in children with Medium-Chain Acyl-CoA dehydrogenase deficiency. JIMD 2024, doi: 10.1002/jimd.12718. Online ahead of print.
   

2023

• Trisciuzzi D, Villoutreix BO, Siragusa L, Baroni M, Cruciani G, Nicolotti O. Targeting protein-protein interactions with low molecular weight and short peptide modulators: insights on disease pathways and starting points for drug discovery. Expert Opin Drug Discov. 2023, 29, 1-16.

• Boccanegra B, Cappellari O, Mantuano P, Trisciuzzi D, Mele A, Tulimiero L, De Bellis M, Cirmi S, Sanarica F, Cerchiara AG, Conte E, Meanti R, Rizzi L, Bresciani E, Denoyelle S, Fehrentz JA, Cruciani G, Nicolotti O, Liantonio A, Torsello A, De Luca A. Growth hormone secretagogues modulate inflammation and fibrosis in mdx mouse model of Duchenne muscular dystrophy. Front Immunol. 2023, 14, 1119888.

• Goracci L, Petito E, Di Veroli A, Falcinelli E, Bencivenga C, Giglio E, Becattini C, De Robertis E, Vaudo G, Gresele P. A platelet lipidomics signature in patients with COVID-19. Platelets. 2023, 34(1), 2200847.

• Bonciarelli S, Desantis J, Cerquiglini S, Goracci L. MassChemSite for In-Depth Forced Degradation Analysis of PARP Inhibitors Olaparib, Rucaparib, and Niraparib. ACS Omega. 2023, 8(7), 7005-7016.

• Goracci L, Nurisso A, Roussel E, Pérès B, Chaptal V, Falson P, Marminon C, Jose J, Le Borgne M, Boumendjel A. Inhibitors of ABCG2-mediated multidrug resistance: Lead generation through computer-aided drug design. Eur J Med Chem. 2023, 248, 115070.

• Damiani T, Bonciarelli S, Thallinger GG, Koehler N, Krettler CA, Salihoğlu AK, Korf A, Pauling JK, Pluskal T, Ni Z, Goracci L. Software and Computational Tools for LC-MS-Based Epilipidomics: Challenges and Solutions. Anal Chem. 2023, 95(1), 287-303.

• Ni Z, Wölk M, Jukes G, Mendivelso Espinosa K, Ahrends R, Aimo L, Alvarez-Jarreta J, Andrews S, Andrews R, Bridge A, Clair GC, Conroy MJ, Fahy E, Gaud C, Goracci L, Hartler J, Hoffmann N, Kopczyinki D, Korf A, Lopez-Clavijo AF, Malik A, Ackerman JM, Molenaar MR, O'Donovan C, Pluskal T, Shevchenko A, Slenter D, Siuzdak G, Kutmon M, Tsugawa H, Willighagen EL, Xia J, O'Donnell VB, Fedorova M. Guiding the choice of informatics software and tools for lipidomics research applications. Nat Methods. 2023, 20(2), 193-204.

• Luque-Navarro PM, Carrasco-Jiménez MP, Goracci L, Paredes JM, Espinar-Barranco L, Valverde-Pozo J, Torretta A, Parisini E, Mariotto E, Marchioro C, Laso A, Marco C, Viola G, Lanari D, López Cara LC. New bioisosteric sulphur-containing choline kinase inhibitors with a tracked mode of action. Eur J Med Chem. 2023, 246, 115003.

• Pazzi G, Buiarelli F, Di Filippo P, Pomata D, Riccardi C, Lucarelli F, Giardi F, Sonego E, Galarini R, Lorenzetti S, Goracci L, Simonetti G. Metals and organic species associated with fine and coarse aerosol particles in an electronic waste recycling plant. Air Quality, Atmosphere and Health, 2023, 16, 841–856.

• Palomba T, Baroni M, Cross S, Cruciani G, Siragusa L. ELIOT: A platform to navigate the E3 pocketome and aid the design of new PROTACs. Chem Biol Drug Des. 2023, 101(1), 69-86.

• Bonciarelli S, Neves B, Domingues P, Melo T, Goracci L, Domingues MR, Analysis of Phosphatidylinositol Modifications by Reactive Nitrogen Species Using LC-MS: Coming to Grips with Their Nitroxidative Susceptibility.  JASMS. 2023, 34 (7), 1372-1382.

• Ferreira HB, Melo T, Guerra IMS, Moreira ASP, Laranjeira P, Paiva A, Goracci L, Bonciarelli S, Domingues P, Domingues MR. Whole Blood and Plasma-Based Lipid Profiling Reveals Distinctive Metabolic Changes in Systemic Lupus Erythematosus and Systemic Sclerosis. J. Proteome Res. 2023, 22 (9), 2995-3008.

• Di Bona S, Artino E, Buiarelli F, Di Filippo P, Galarini R, Lorenzetti S, Lucarelli F, Cruciani G, Goracci L. Metabolic Stability of Eight Airborne OrganoPhosphate Flame Retardants (OPFRs) in Human Liver, Skin Microsomes and Human Hepatocytes, Separations 2023, 10 (11), art. no. 548.

• Kedia K, Harris R, Ekroos K, Moser K., DeBord D, Tiberi P, Goracci L, Zhang NR, Wang W, Spellman DS, Bateman K. Investigating Performance of the SLIM-Based High Resolution Ion Mobility Platform for Separation of Isomeric Phosphatidylcholine Species. JASMS 2023, 34 (10), 2176-2186.

• Barola C, Bucaletti E, Moretti S, Buiarelli F, Simonetti G, Lucarelli F, Goracci L, Lorenzetti S, Di Filippo P, Pomata D, Riccardi C, Galarini R. Untargeted Screening of Per- and Polyfluoroalkyl Substances (PFASs) in Airborne Particulate of Three Italian E-Waste Recycling Facilities, Separations 2023, 10 (11), art. no. 547.

• Castellani B, Eleuteri M, Di Bona S, Cruciani G, Desantis J, Goracci L. VHL-Modified PROteolysis TArgeting Chimeras (PROTACs) as a Strategy to Evade Metabolic Degradation in In Vitro Applications, J Med Chem. 2023, 66 (18), 13148-13171.

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2022

• Costantino L, Ferrari S, Santucci M, Salo-Ahen OMH, Carosati E, Franchini S, Lauriola A, Pozzi C, Trande M, Gozzi G, Saxena P, Cannazza G, Losi L, Cardinale D, Venturelli A, Quotadamo A, Linciano P, Tagliazucchi L, Moschella MG, Guerrini R, Pacifico S, Luciani R, Genovese F, Henrich S, Alboni S, Santarem N, da Silva Cordeiro A, Giovannetti E, Peters GJ, Pinton P, Rimessi A, Cruciani G, Stroud RM, Wade RC, Mangani S, Marverti G, D'Arca D, Ponterini G, Costi MP. Destabilizers of the thymidylate synthase homodimer accelerate its proteasomal degradation and inhibit cancer growth. Elife. 2022, 11, e73862.

• Trisciuzzi D, Siragusa L, Baroni M, Cruciani G, Nicolotti O. An Integrated Machine Learning Model To Spot Peptide Binding Pockets in 3D Protein Screening. J Chem Inf Model. 2022, 62(24), 6812-6824.

• Pacifico R, Del Gaudio N, Bove G, Altucci L, Siragusa L, Cruciani G, Ruvo M, Bellavita R, Grieco P, Adamo MFA. Discovery of a new class of triazole based inhibitors of acetyl transferase KAT2A. J Enzyme Inhib Med Chem. 2022; 37(1), 1987-1994.

• Arribas AJ, Napoli S, Cascione L, Sartori G, Barnabei L, Gaudio E, Tarantelli C, Mensah AA, Spriano F, Zucchetto A, Rossi FM, Rinaldi A, Castro de Moura M, Jovic S, Bordone-Pittau R, Di Veroli A, Stathis A, Cruciani G, Stussi G, Gattei V, Brown JR, Esteller M, Zucca E, Rossi D, Bertoni F. Resistance to PI3Kδ inhibitors in marginal zone lymphoma can be reverted by targeting the IL-6/PDGFRA axis. Haematologica. 2022, 107(11), 2685-2697.

• Turco EM, Giovenale AMG, Sireno L, Mazzoni M, Cammareri A, Marchioretti C, Goracci L, Di Veroli A, Marchesan E, D'Andrea D, Falconieri A, Torres B, Bernardini L, Magnifico MC, Paone A, Rinaldo S, Della Monica M, D'Arrigo S, Postorivo D, Nardone AM, Zampino G, Onesimo R, Leoni C, Caicci F, Raimondo D, Binda E, Trobiani L, De Jaco A, Tata AM, Ferrari D, Cutruzzolà F, Mazzoccoli G, Ziviani E, Pennuto M, Vescovi AL, Rosati J. Retinoic acid-induced 1 gene haploinsufficiency alters lipid metabolism and causes autophagy defects in Smith-Magenis syndrome. Cell Death Dis. 2022, 13(11), 981.

• Criscuolo A, Nepachalovich P, Garcia-Del Rio DF, Lange M, Ni Z, Baroni M, Cruciani G, Goracci L, Blüher M, Fedorova M. Analytical and computational workflow for in-depth analysis of oxidized complex lipids in blood plasma. Nat Commun. 2022, 13(1):6547.

• Palomba T, Tassone G, Vacca C, Bartalucci M, Valeri A, Pozzi C, Cross S, Siragusa L, Desantis J. Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design. Int J Mol Sci. 2022, 23(22), 14218.

• D'Arrigo G, Autiero I, Gianquinto E, Siragusa L, Baroni M, Cruciani G, Spyrakis F. Exploring Ligand Binding Domain Dynamics in the NRs Superfamily. Int J Mol Sci. 2022, 23(15), 8732.

• Bartolini D, Arato I, Mancuso F, Giustarini D, Bellucci C, Vacca C, Aglietti MC, Stabile AM, Rossi R, Cruciani G, Rende M, Calafiore R, Luca G, Galli F. Melatonin modulates Nrf2 activity to protect porcine pre-pubertal Sertoli cells from the abnormal H2 O2 generation and reductive stress effects of cadmium. J Pineal Res. 2022, 73(1), e12806.

• Desantis J, Mammoli A, Eleuteri M, Coletti A, Croci F, Macchiarulo A, Goracci L. PROTACs bearing piperazine-containing linkers: what effect on their protonation state? RSC Adv. 2022, 12(34), 21968-21977.

• Mercorelli B, Desantis J, Celegato M, Bazzacco A, Siragusa L, Benedetti P, Eleuteri M, Croci F, Cruciani G, Goracci L, Loregian A. Discovery of novel SARS-CoV-2 inhibitors targeting the main protease Mpro by virtual screenings and hit optimization. Antiviral Res. 2022, 204, 105350.

• Desantis J, Felicetti T, Cannalire R. An overview on small molecules acting as broad-spectrum agents for yellow fever infection. Expert Opin Drug Discov. 2022, 17(7), 755-773.

• Siragusa L, Menna G, Buratta F, Baroni M, Desantis J, Cruciani G, Goracci L. CROMATIC: Cross-Relationship Map of Cavities from Coronaviruses. J Chem Inf Model. 2022, 62(12), 2901-2908.

• Desantis J, Goracci L. Proteolysis targeting chimeras in antiviral research. Future Med Chem. 2022, 14(7), 459-462.

• Cross S, Cruciani G. FragExplorer: GRID-Based Fragment Growing and Replacement. J Chem Inf Model. 2022, 62(5), 1224-1235.

• Xie F, Groseclose MR, Tortorella S, Cruciani G, Castellino S. Mapping the Lipids of Skin Sebaceous Glands and Hair Follicles by High Spatial Resolution MALDI Imaging Mass Spectrometry. Pharmaceuticals (Basel). 2022, 15(4), 411.

• Paglietti G, Tanda G, Melis RT, Musinu A, Cruciani G, Franceschelli M, Cannas C, Mameli V, Casu M. Technological insights on the Early-Middle Bronze Age pottery of Monte Meana cave (Sardinia, Italy). Heliyon. 2022, 8(3), e09171.

• de Vink PJ, Koops AA, D'Arrigo G, Cruciani G, Spyrakis F, Brunsveld L. Cooperativity as quantification and optimization paradigm for nuclear receptor modulators. Chem Sci. 2022, 13(9), 2744-2752.

• Trisciuzzi D, Siragusa L, Baroni M, Autiero I, Nicolotti O, Cruciani G. Getting Insights into Structural and Energetic Properties of Reciprocal Peptide-Protein Interactions. J Chem Inf Model. 2022, 62(4), 1113-1125.

• Cartoni Mancinelli A, Di Veroli A, Mattioli S, Cruciani G, Dal Bosco A, Castellini C. Lipid metabolism analysis in liver of different chicken genotypes and impact on nutritionally relevant polyunsaturated fatty acids of meat. Sci Rep. 2022, 12(1), 1888.

• Smirnova M, Goracci L, Cruciani G, Federici L, Declèves X, Chapy H, Cisternino S. Pharmacophore-Based Discovery of Substrates of a Novel Drug/Proton-Antiporter in the Human Brain Endothelial hCMEC/D3 Cell Line. Pharmaceutics. 2022, 14(2), 255.

• Gianni M, Goracci L, Schlaefli A, Di Veroli A, Kurosaki M, Guarrera L, Bolis M, Foglia M, Lupi M, Tschan MP, Cruciani G, Terao M, Garattini E. Role of cardiolipins, mitochondria, and autophagy in the differentiation process activated by all-trans retinoic acid in acute promyelocytic leukemia. Cell Death Dis. 2022, 13(1), 30.

• Bartolini D, Stabile AM, Vacca C, Pistilli A, Rende M, Gioiello A, Cruciani G, Galli F. Endoplasmic reticulum stress and NF-kB activation in SARS-CoV-2 infected cells and their response to antiviral therapy. IUBMB Life. 2022, 74(1), 93-100.

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2021

• Russo C, Bartolini D, Corbucci C, Stabile AM, Rende M, Gioiello A, Cruciani G, Mencacci A, Galli F, Pietrella D. Effect of a UV-C Automatic Last-Generation Mobile Robotic System on Multi-Drug Resistant Pathogens. Int J Environ Res Public Health. 2021, 18(24), 13019.

• Farias AB, Candiotto G, Siragusa L, Goracci L, Cruciani G, Oliveira ERA, Horta BAC. Targeting Nsp9 as an anti-SARS-CoV-2 strategy. New J Chem. 2021, 45, 522-525.20.  

• Desantis J, Mercorelli B, Celegato M, Croci F, Bazzacco A, Baroni M, Siragusa L, Cruciani G, Loregian A, Goracci L. Indomethacin-based PROTACs as pan-coronavirus antiviral agents. Eur J Med Chem. 2021, 226, 113814.

• Tortorella S, Carosati E, Sorbi G, Bocci G, Cross S, Cruciani G, Storchi L. Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications. J Comput Chem. 2021, 42(29), 2068-2078.

• Bartolini D, Stabile AM, Bastianelli S, Giustarini D, Pierucci S, Busti C, Vacca C, Gidari A, Francisci D, Castronari R, Mencacci A, Di Cristina M, Focaia R, Sabbatini S, Rende M, Gioiello A, Cruciani G, Rossi R, Galli F. SARS-CoV2 infection impairs the metabolism and redox function of cellular glutathione. Redox Biol. 2021, 45, 102041.

• Bonciarelli S, Desantis J, Goracci L, Siragusa L, Zamora I, Ortega-Carrasco E. Automatic Identification of Lansoprazole Degradants under Stress Conditions by LC-HRMS with MassChemSite and WebChembase. J Chem Inf Model. 2021, 61(6), 2706-2719.

• Lee GT, Nagaya N, Desantis J, Madura K, Sabaawy HE, Kim WJ, Vaz RJ, Cruciani G, Kim IY. Effects of MTX-23, a Novel PROTAC of Androgen Receptor Splice Variant-7 and Androgen Receptor, on CRPC Resistant to Second-Line Antiandrogen Therapy. Mol Cancer Ther. 2021, 20(3), 490-499.

• Mancino V, Ceccarelli G, Carotti A, Goracci L, Sardella R, Passeri D, Pellicciari R, Gioiello A. Synthesis and biological activity of cyclopropyl Δ7-dafachronic acids as DAF-12 receptor ligands. Org Biomol Chem. 2021, 19(24), 5403-5412.

• Massari S, Desantis J, Nizi MG, Cecchetti V, Tabarrini O. Inhibition of Influenza Virus Polymerase by Interfering with Its Protein-Protein Interactions. ACS Infect Dis. 2021, 7(6), 1332-1350.

• Capece D, D'Andrea D, Begalli F, Goracci L, Tornatore L, Alexander JL, Di Veroli A, Leow SC, Vaiyapuri TS, Ellis JK, Verzella D, Bennett J, Savino L, Ma Y, McKenzie JS, Doria ML, Mason SE, Chng KR, Keun HC, Frost G, Tergaonkar V, Broniowska K, Stunkel W, Takats Z, Kinross JM, Cruciani G, Franzoso G. Enhanced triacylglycerol catabolism by carboxylesterase 1 promotes aggressive colorectal carcinoma. J Clin Invest. 2021, 131(11), e137845.

• Gidari A, Sabbatini S, Bastianelli S, Pierucci S, Busti C, Bartolini D, Stabile AM, Monari C, Galli F, Rende M, Cruciani G, Francisci D. SARS-CoV-2 Survival on Surfaces and the Effect of UV-C Light. Viruses. 2021, 13(3), 408.

• D'Arrigo G, Gianquinto E, Rossetti G, Cruciani G, Lorenzetti S, Spyrakis F. Binding of Androgen- and Estrogen-Like Flavonoids to Their Cognate (Non)Nuclear Receptors: A Comparison by Computational Prediction. Molecules. 2021, 26(6), 1613.

• Massari S, Bertagnin C, Pismataro MC, Donnadio A, Nannetti G, Felicetti T, Di Bona S, Nizi MG, Tensi L, Manfroni G, Loza MI, Sabatini S, Cecchetti V, Brea J, Goracci L, Loregian A, Tabarrini O. Synthesis and characterization of 1,2,4-triazolo[1,5-a]pyrimidine-2-carboxamide-based compounds targeting the PA-PB1 interface of influenza A virus polymerase. Eur J Med Chem. 2021, 209, 112944.

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2020

• Goracci L, Desantis J, Valeri A, Castellani B, Eleuteri M, Cruciani G. Understanding the Metabolism of Proteolysis Targeting Chimeras (PROTACs): The Next Step toward Pharmaceutical Applications. J Med Chem. 2020, 63(20), 11615-11638.

• Gabriele F, Goracci L, Germani R, Spreti N. Refining the model to design α-chymotrypsin superactivators: The role of the binding mode of quaternary ammonium salts. New J Chem. 2020, 44, 20823-20833.  

• Lorenzetti S, Aquilina G, Caloni F, Coccia EM, Cozzini P, Cruciani G, Fouassier A, Gissi A, Goracci L, Heinonen T, Hubert P, Madia F, Nevelli F, Rainer A, Rovida C, Vitale A, De Angelis I. Non animal methodologies (NAMs): Research, testing, assessment and applications - ecopa Symposium 2019. ALTEX. 2020, 37(2), 317-320.

• Barola C, Moretti S, Giusepponi D, Paoletti F, Saluti G, Cruciani G, Brambilla G, Galarini R. A liquid chromatography-high resolution mass spectrometry method for the determination of thirty-three per- and polyfluoroalkyl substances in animal liver. J Chromatogr A. 2020, 1628, 461442.

• Nizi MG, Desantis J, Nakatani Y, Massari S, Mazzarella MA, Shetye G, Sabatini S, Barreca ML, Manfroni G, Felicetti T, Rushton-Green R, Hards K, Latacz G, Satała G, Bojarski AJ, Cecchetti V, Kolář MH, Handzlik J, Cook GM, Franzblau SG, Tabarrini O. Antitubercular polyhalogenated phenothiazines and phenoselenazine with reduced binding to CNS receptors. Eur J Med Chem. 2020, 201, 112420.

• Spyrakis F, Santucci M, Maso L, Cross S, Gianquinto E, Sannio F, Verdirosa F, De Luca F, Docquier JD, Cendron L, Tondi D, Venturelli A, Cruciani G, Costi MP. Virtual screening identifies broad-spectrum β-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases. Sci Rep. 2020, 10(1), 12763.

• Cruciani G, Fancello D, Franceschelli M, Massonne HJ, Langone A, Scodina M. Geochemical and geochronological dataset of rutile from a Variscan metabasite in Sardinia, Italy. Data Brief. 2020, 31, 105925.

• Desantis J, Massari S, Corona A, Astolfi A, Sabatini S, Manfroni G, Palazzotti D, Cecchetti V, Pannecouque C, Tramontano E, Tabarrini O. 1,2,4-Triazolo[1,5-a]pyrimidines as a Novel Class of Inhibitors of the HIV-1 Reverse Transcriptase-Associated Ribonuclease H Activity. Molecules. 2020, 25(5), 1183.

• Milani N, Qiu N, Molitor B, Badée J, Cruciani G, Fowler S. Use of Phenotypically Poor Metabolizer Individual Donor Human Liver Microsomes To Identify Selective Substrates of UGT2B10. Drug Metab Dispos. 2020, 48(3), 176-186.

• Celegato M, Messa L, Goracci L, Mercorelli B, Bertagnin C, Spyrakis F, Suarez I, Cousido-Siah A, Travé G, Banks L, Cruciani G, Palù G, Loregian A. A novel small-molecule inhibitor of the human papillomavirus E6-p53 interaction that reactivates p53 function and blocks cancer cells growth. Cancer Lett. 2020, 470, 115-125.

• Tortorella S, Tiberi P, Bowman AP, Claes BSR, Ščupáková K, Heeren RMA, Ellis SR, Cruciani G. LipostarMSI: Comprehensive, Vendor-Neutral Software for Visualization, Data Analysis, and Automated Molecular Identification in Mass Spectrometry Imaging. J Am Soc Mass Spectrom. 2020, 31(1), 155-163.

• Goracci L, Valeri A, Sciabola S, Aleo MD, Moritz W, Lichtenberg J, Cruciani G. A Novel Lipidomics-Based Approach to Evaluating the Risk of Clinical Hepatotoxicity Potential of Drugs in 3D Human Microtissues. Chem Res Toxicol. 2020, 33(1), 258-270.

• Lo Piparo E, Siragusa L, Raymond F, Passeri GI, Cruciani G, Schilter B. Bisphenol A binding promiscuity: A virtual journey through the universe of proteins. ALTEX. 2020, 37(1), 85-94.

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2019

• Ni Z, Goracci L, Cruciani G, Fedorova M. Computational solutions in redox lipidomics - Current strategies and future perspectives. Free Radic Biol Med. 2019, 144, 110-123.

• Massari S, Corona A, Distinto S, Desantis J, Caredda A, Sabatini S, Manfroni G, Felicetti T, Cecchetti V, Pannecouque C, Maccioni E, Tramontano E, Tabarrini O. From cycloheptathiophene-3-carboxamide to oxazinone-based derivatives as allosteric HIV-1 ribonuclease H inhibitors. J Enzyme Inhib Med Chem. 2019, 34(1), 55-74.

• Cruciani G, Domingues P, Fedorova M, Galli F, Spickett CM. Redox lipidomics and adductomics - Advanced analytical strategies to study oxidized lipids and lipid-protein adducts. Free Radic Biol Med. 2019, 144, 1-5.

• Terao M, Goracci L, Celestini V, Kurosaki M, Bolis M, Di Veroli A, Vallerga A, Fratelli M, Lupi M, Corbelli A, Fiordaliso F, Gianni M, Paroni G, Zanetti A, Cruciani G, Garattini E. Role of mitochondria and cardiolipins in growth inhibition of breast cancer cells by retinoic acid. J Exp Clin Cancer Res. 2019, 38(1), 436.

• Cruciani G, Martin Y, Vinter A, Lewis R, Gago F, Stouch TR. How computational chemistry develops: a tribute to Peter Goodford. J Comput Aided Mol Des. 2019, 33(8), 699-703.

• Dellafiora L, Galaverna G, Cruciani G, Dall'Asta C. A computational study toward the "personalized" activity of alternariol - Does it matter for safe food at individual level? Food Chem Toxicol. 2019, 130, 199-206.

• Nannetti G, Massari S, Mercorelli B, Bertagnin C, Desantis J, Palù G, Tabarrini O, Loregian A. Potent and broad-spectrum cycloheptathiophene-3-carboxamide compounds that target the PA-PB1 interaction of influenza virus RNA polymerase and possess a high barrier to drug resistance. Antiviral Res. 2019, 165, 55-64.

• Fliszár-Nyúl E, Lemli B, Kunsági-Máté S, Dellafiora L, Dall'Asta C, Cruciani G, Pethő G, Poór M. Interaction of Mycotoxin Alternariol with Serum Albumin. Int J Mol Sci. 2019, 20(9), 2352.

• Torquato P, Giusepponi D, Alisi A, Galarini R, Bartolini D, Piroddi M, Goracci L, Di Veroli A, Cruciani G, Crudele A, Nobili V, Galli F. Nutritional and lipidomics biomarkers of docosahexaenoic acid-based multivitamin therapy in pediatric NASH. Sci Rep. 2019, 9(1), 2045.