Identification of Human Dihydroorotate Dehydrogenase Inhibitor by a Pharmacophore-Based Virtual Screening Study. Galati S, Sainas S, Giorgis M, Boschi D, Lolli ML, Ortore G, Poli G, Tuccinardi T. Molecules. 2022, 27(12):3660.


Predicting potentially pathogenic effects of hRPE65 missense mutations: a computational strategy based on molecular dynamics simulations. Poli G, Barravecchia I, Demontis GC, Sodi A, Saba A, Rizzo S, Macchia M, Tuccinardi T. J Enzyme Inhib Med Chem. 2022, 37(1):1765-1772.


Reversible Monoacylglycerol Lipase Inhibitors: Discovery of a New Class of Benzylpiperidine Derivatives. Bononi G, Di Stefano M, Poli G, Ortore G, Meier P, Masetto F, Caligiuri I, Rizzolio F, Macchia M, Chicca A, Avan A, Giovannetti E, Vagaggini C, Brai A, Dreassi E, Valoti M, Minutolo F, Granchi C, Gertsch J, Tuccinardi T. J Med Chem. 2022, 65(10):7118-7140.


New Synthetic Analogues of Natural Polyphenols as Sirtuin 1-Activating Compounds. Bononi G, Flori L, Citi V, Acciai C, Nocilla V, Martelli A, Poli G, Tuccinardi T, Granchi C, Testai L, Calderone V, Minutolo F. Pharmaceuticals (Basel). 2022, 15(3):339.


Virtual screening and crystallographic studies reveal an unexpected γ-lactone derivative active against MptpB as a potential antitubercular agent. Cazzaniga G, Mori M, Meneghetti F, Chiarelli LR, Stelitano G, Caligiuri I, Rizzolio F, Ciceri S, Poli G, Staver D, Ortore G, Tuccinardi T, Villa S. Eur J Med Chem. 2022, 234:114235.


VenomPred: A Machine Learning Based Platform for Molecular Toxicity Predictions. Galati S, Di Stefano M, Martinelli E, Macchia M, Martinelli A, Poli G, Tuccinardi T. Int J Mol Sci. 2022, 23(4):2105.


Expansion of the 4-(Diethylamino)benzaldehyde Scaffold to Explore the Impact on Aldehyde Dehydrogenase Activity and Antiproliferative Activity in Prostate Cancer. Ibrahim AIM, Batlle E, Sneha S, Jiménez R, Pequerul R, Parés X, Rüngeler T, Jha V, Tuccinardi T, Sadiq M, Frame F, Maitland NJ, Farrés J, Pors K. J Med Chem. 2022, 65(5):3833-3848.


From Anti-infective Agents to Cancer Therapy: A Drug Repositioning Study Revealed a New Use for Nitrofuran Derivatives. Ortore G, Poli G, Martinelli A, Tuccinardi T, Rizzolio F, Caligiuri I. Med Chem. 2022, 18(2):249-2594.


Co-inhibition of p-gp and hsp90 by an isatin-derived compound contributes to the increase of the chemosensitivity of mcf7/adr-resistant cells to doxorubicin. Abdalla AN, Di Stefano M, Poli G, Tuccinardi T, Bader A, Vassallo A, Abdallah ME, El-Readi MZ, Refaat B, Algarni AS, Ahmad R, Alkahtani HM, Abdel-Aziz AA-, El-Azab AS, Alqathama A. Int J Pharm. 2022, 613:121374.


A Carrier Free Delivery System of a Monoacylglycerol Lipase Hydrophobic Inhibitor. Adeel M, Saorin G, Boccalon G, Sfriso AA, Parisi S, Moro I, Palazzolo S, Caligiuri I, Granchi C, Corona G, Cemazar M, Canzonieri V, Tuccinardi T, Rizzolio F. Int J Pharm. 2022, 613:121374.


New PIN1 inhibitors identified through a pharmacophore-driven, hierarchical consensus docking strategy. Poli G, Di Stefano M, Estevez JA, Minutolo F, Granchi C, Giordano A, Parisi S, Mauceri M, Canzonieri V, Macchia M, Caligiuri I, Tuccinardi T, Rizzolio F. J Enzyme Inhib Med Chem. 2022, 37(1):145-150.


Discovery of Dimeric Arylsulfonamides as Potent ADAM8 Inhibitors. Cuffaro D, Camodeca C, Tuccinardi T, Ciccone L, Bartsch JW, Kellermann T, Cook L, Nuti E, Rossello A. ACS Med Chem Lett. 2021, 12(11):1787-1793.


New Therapeutic Strategy for Overcoming Multidrug Resistance in Cancer Cells with Pyrazolo[3,4-d]pyrimidine Tyrosine Kinase Inhibitors. Podolski-Renić A, Dinić J, Stanković T, Tsakovska I, Pajeva I, Tuccinardi T, Botta L, Schenone S, Pešić M. Cancers (Basel). 2021, 13(21):5308.


What is the current value of MM/PBSA and MM/GBSA methods in drug discovery? Tuccinardi T. Exp. Opin. on Drug Disc. 2021, 16(11):1233-1237.


Development of a fluorogenic ADAMTS-7 substrate. Santamaria S, Buemi F, Nuti E, Cuffaro D, De Vita E, Tuccinardi T, Rossello A, Howell S, Mehmood S, Snijders AP, de Groot R. J Enzyme Inhib Med Chem. 2021, 36(1):2160-2169.


STARD3: A Prospective Target for Cancer Therapy. Asif K, Memeo L, Palazzolo S, Frión-Herrera Y, Parisi S, Caligiuri I, Canzonieri V, Granchi C, Tuccinardi T, Rizzolio F. Cancers (Basel). 2021, 13(18):4693.


Recent Advances in In Silico Target Fishing. Galati S, Di Stefano M, Martinelli E, Poli G, Tuccinardi T. Molecules. 2021, 26(17):5124.


α/β-Hydrolase Domain (ABHD) Inhibitors as New Potential Therapeutic Options against Lipid-Related Diseases. Bononi G, Tuccinardi T, Rizzolio F, Granchi C. J Med Chem. 2021, 64(14):9759-9785.


Monoacylglycerol lipase (MAGL) inhibitors based on a diphenylsulfide-benzoylpiperidine scaffold. Bononi G, Tonarini G, Poli G, Barravecchia I, Caligiuri I, Macchia M, Rizzolio F, Demontis GC, Minutolo F, Granchi C, Tuccinardi T. Eur J Med Chem. 2021, 223:113679.


Discovery of a new ATP-citrate lyase (ACLY) inhibitor identified by a pharmacophore-based virtual screening study. Jha V, Galati S, Volpi V, Ciccone L, Minutolo F, Rizzolio F, Granchi C, Poli G, Tuccinardi T. J Biomol Struct Dyn. 2021, 39(11):3996-4004.


Former foodstuff in mealworm farming: Effects on fatty acids profile, lipid metabolism and antioxidant molecules. Mattioli S, Paci G, Fratini F, Dal Bosco A, Tuccinardi T, Mancini SLWT – Food Science and Technology 2021, 147:111644.


Effect of Cooking Techniques on the in vitro Protein Digestibility, Fatty Acid Profile, and Oxidative Status of Mealworms (Tenebrio molitor). Mancini S, Mattioli S, Paolucci S, Fratini F, Dal Bosco A, Tuccinardi T, Paci G. Front Vet Sci. 2021, 8:675572.


Cag rnas induce dna damage and apoptosis by silencing nudt16 expression in polyglutamine degeneration. Peng S, Guo P, Lin X, An Y, Sze KH, Lau MHY, Chen ZS, Wang Q, Li W, Sun JK, Ma SY, Chan TF, Lau KF, Ngo JCK, Kwan KM, Wong CH, Lam SL, Zimmerman SC, Tuccinardi T, Zuo Z, Au-Yeung HY, Chow HM, Chan HYE. Proc Natl Acad Sci U S A. 2021, 118(19):e2022940118.


Targeting GLUT1 in acute myeloid leukemia to overcome cytarabine resistance. Åbacka H, Hansen JS, Huang P, Venskutonytė R, Hyrenius-Wittsten A, Poli G, Tuccinardi T, Granchi C, Minutolo F, Hagström-Andersson AK, Lindkvist-Petersson K. Haematologica. 2021, 106(4):1163-1166.


Predicting Isoform-Selective Carbonic Anhydrase Inhibitors via Machine Learning and Rationalizing Structural Features Important for Selectivity. Galati S, Yonchev D, Rodríguez-Pérez R, Vogt M, Tuccinardi T, Bajorath J. ACS Omega. 2021, 6(5):4080-4089.


An updated patent review of monoacylglycerol lipase (MAGL) inhibitors (2018-present). Bononi G, Poli G, Rizzolio F, Tuccinardi T, Macchia M, Minutolo F, Granchi C. Expert Opin Ther Pat. 2021, 31(2):153-168.


Exosite inhibition of ADAMTS-5 by a glycoconjugated arylsulfonamide. Santamaria S, Cuffaro D, Nuti E, Ciccone L, Tuccinardi T, Liva F, D’Andrea F, de Groot R, Rossello A, Ahnström J. Sci Rep. 2021, 11(1):949.


Discovery of monoacylglycerol lipase (MAGL) inhibitors based on a pharmacophore-guided virtual screening study. Jha V, Biagi M, Spinelli V, Di Stefano MD, Macchia M, Minutolo F, Granchi C, Poli G, Tuccinardi T. Molecules. 2021, 26(1):E78.


Design, synthesis and biological evaluation of second-generation benzoylpiperidine derivatives as reversible monoacylglycerol lipase (MAGL) inhibitors. Granchi C, Bononi G, Ferrisi R, Gori E, Mantini G, Glasmacher S, Poli G, Palazzolo S, Caligiuri I, Rizzolio F, Canzonieri V, Perin T, Gertsch J, Sodi A, Giovannetti E, Macchia M, Minutolo F, Tuccinardi T, Chicca A. Eur J Med Chem. 2021, 209:112857.


Cancer Extracellular Vesicles: Next-Generation Diagnostic and Drug Delivery Nanotools. Palazzolo S, Memeo L, Hadla M, Duzagac F, Steffan A, Perin T, Canzonieri V, Tuccinardi T, Caligiuri I, Rizzolio F. Cancers (Basel). 2020, 12(11):E3165.


The endocannabinoid system dual-target ligand N-cycloheptyl-1,2-dihydro-5-bromo-1-(4-fluorobenzyl)-6-methyl-2-oxo-pyridine-3-carboxamide improves disease severity in a mouse model of multiple sclerosis. Arena C, Gado F, Di Cesare Mannelli L, Cervetto C, Carpi S, Reynoso-Moreno I, Polini B, Vallini E, Chicca S, Lucarini E, Bertini S, D’Andrea F, Digiacomo M, Poli G, Tuccinardi T, Macchia M, Gertsch J, Marcoli M, Nieri P, Ghelardini C, Chicca A, Manera C. Eur J Med Chem. 2020, 208:112858.


Three-Dimensional Interactions Analysis of the Anticancer Target c-Src Kinase with Its Inhibitors. Jha V, Macchia M, Tuccinardi T, Poli G. Cancers (Basel). 2020, 12(8):2327.


Shedding X-ray Light on the Role of Magnesium in the Activity of Mycobacterium tuberculosis Salicylate Synthase (MbtI) for Drug Design. Mori M, Stelitano G, Gelain A, Pini E, Chiarelli LR, Sammartino JC, Poli G, Tuccinardi T, Beretta G, Porta A, Bellinzoni M, Villa S, Meneghetti F. J Med Chem. 2020, 63(13):7066-7080.


Aldose Reductase Differential Inhibitors in Green Tea. Balestri F, Poli G, Pineschi C, Moschini R, Cappiello M, Mura U, Tuccinardi T, Del Corso A. Biomolecules. 2020, 10(7):1003.


Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes-7. Gütschow M, Eynde JJV, Jampilek J, Kang C, Mangoni AA, Fossa P, Karaman R, Trabocchi A, Scott PJH, Reynisson J, Rapposelli S, Galdiero S, Winum JY, Brullo C, Prokai-Tatrai K, Sharma AK, Schapira M, Azuma YT, Cerchia L, Spetea M, Torri G, Collina S, Geronikaki A, García-Sosa AT, Vasconcelos MH, Sousa ME, Kosalec I, Tuccinardi T, Duarte IF, Salvador JAR, Bertinaria M, Pellecchia M, Amato J, Rastelli G, Gomes PAC, Guedes RC, Sabatier JM, Estévez-Braun A, Pagano B, Mangani S, Ragno R, Kokotos G, Brindisi M, González FV, Borges F, Miloso M, Rautio J, Muñoz-Torrero D. Molecules. 2020, 25(13):2968.


N-aryl-N’-ureido-O-sulfamates as potent and selective inhibitors of hCA VB over hCA VA: Deciphering the binding mode of new potential agents in mitochondrial dysfunctions. Poli G, Bozdag M, Berrino E, Angeli A, Tuccinardi T, Carta F, Supuran CT. Bioorg Chem. 2020, 100:103896.


Consensus docking in drug discovery. Poli G, Tuccinardi T. Curr. Bioact. Comp. 2020, 16(3):82-190.


Application of MM-PBSA Methods in Virtual Screening. Poli G, Granchi C, Rizzolio F, Tuccinardi T. Molecules. 2020, 25(8):1971.


Antibacterial and ATP Synthesis Modulating Compounds from Salvia tingitana. Bisio A, Schito AM, Pedrelli F, Danton O, Reinhardt JK, Poli G, Tuccinardi T, Bürgi T, De Riccardis F, Giacomini M, Calzia D, Panfoli I, Schito GC, Hamburger M, De Tommasi N. J Nat Prod. 2020, 83(4):1027-1042.


The dichotomous role of the glycolytic metabolism pathway in cancer metastasis: Interplay with the complex tumor microenvironment and novel therapeutic strategies. El Hassouni B, Granchi C, Vallés-Martí A, Supadmanaba IGP, Bononi G, Tuccinardi T, Funel N, Jimenez CR, Peters GJ, Giovannetti E, Minutolo F. Semin Cancer Biol. 2020, 60:238-248.


1,3-Dipolar Cycloaddition, HPLC Enantioseparation, and Docking Studies of Saccharin/Isoxazole and Saccharin/Isoxazoline Derivatives as Selective Carbonic Anhydrase IX and XII Inhibitors. D’Ascenzio M, Secci D, Carradori S, Zara S, Guglielmi P, Cirilli R, Pierini M, Poli G, Tuccinardi T, Angeli A, Supuran CT. J Med Chem. 2020, 63(5):2470-2488.


Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes-6. Vanden Eynde JJ, Mangoni AA, Rautio J, Leprince J, Azuma YT, García-Sosa AT, Hulme C, Jampilek J, Karaman R, Li W, Gomes PAC, Hadjipavlou-Litina D, Capasso R, Geronikaki A, Cerchia L, Sabatier JM, Ragno R, Tuccinardi T, Trabocchi A, Winum JY, Luque FJ, Prokai-Tatrai K, Spetea M, Gütschow M, Kosalec I, Guillou C, Vasconcelos MH, Kokotos G, Rastelli G, de Sousa ME, Manera C, Gemma S, Mangani S, Siciliano C, Galdiero S, Liu H, Scott PJH, de Los Ríos C, Agrofoglio LA, Collina S, Guedes RC, Muñoz-Torrero D. Molecules. 2020, 25(1):E119.


The History of Nanoscience and Nanotechnology: From Chemical-Physical Applications to Nanomedicine. Bayda S, Adeel M, Tuccinardi T, Cordani M, Rizzolio F. Molecules. 2020, 25(1):112.


Modification on the 1,2-dihydro-2-oxo-pyridine-3-carboxamide core to obtain multi-target modulators of endocannabinoid system. Gado F, Arena C, Fauci C, Reynoso-Moreno I, Bertini S, Digiacomo M, Meini S, Poli G, Macchia M, Tuccinardi T, Gertsch J, Chicca A, Manera C. Bioorg Chem. 2020, 17:103353.


Tenebrio molitor reared on different substrates: is it gluten free?” Mancini S, Fratini F, Tuccinardi T, Degl’Innocenti C, Paci G. Food Control 2020, 110:107014.


Development of a cheminformatics platform for selectivity analyses of carbonic anhydrase inhibitors. Poli G, Galati S, Martinelli A, Supuran CT, Tuccinardi T. J Enzyme Inhib Med Chem. 2020, 35(1):365-371.


The Extra-Virgin Olive Oil Polyphenols Oleocanthal and Oleacein Counteract Inflammation-Related Gene and miRNA Expression in Adipocytes by Attenuating NF-κB Activation. Carpi S, Scoditti E, Massaro M, Polini B, Manera C, Digiacomo M, Esposito Salsano J, Poli G, Tuccinardi T, Doccini S, Santorelli FM, Carluccio MA, Macchia M, Wabitsch M, De Caterina R, Nieri P. Nutrients. 2019, 24(21). pii: E3872.


Effects of different blanching treatments on microbiological profile and quality of the mealworm (Tenebrio molitor). Mancini S, Fratini F, Tuccinardi T, Turchi B, Nuvoloni R, Paci G. Journal of Insects as Food and Feed 2019, 5 225-234.


Stereoselectivity of aldose reductase in the reduction of glutathionyl-hydroxynonanal adduct. Balestri F, Barracco V, Renzone G, Tuccinardi T, Pomelli CS, Cappiello M, Lessi M, Rotondo R, Bellina F, Scaloni A, Mura U, Del Corso A, Moschini R. Antioxidants (Basel). 2019, 8(10). pii: 502.


Rutin as promising drug for the treatment of Parkinson’s disease: an assessment of MAO-B inhibitory potential by docking, molecular dynamics and DFT studies. Azam F, Abodabos HS, Taban IM, Rfieda AR, Mahmood D, Anwar MJ, Khan S, Sizochenko N, Poli G, Tuccinardi T, Ali HI. Mol SImul 2019, 45:1563-1571.

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