Synthesis

Introduction

The synthetic division of the Computational Organic Chemistry Lab is responsible for the production of the biologically active compounds designed by the computational division. Moreover, it constantly searches for new and innovative synthetic methods to improve the processes.

Latest papers:

	Colarusso E.; Ceccacci S.; Monti M.C.; Gazzillo E.; Giordano A.; Chini M.G.; Ferraro M.G.; Piccolo M.; Ruggiero D.; Irace C.; Terracciano S.; Bruno I.; Bifulco G.; Lauro G.; “Identification of 2,4,5-trisubstituted-2,4-dihydro-3H-1,2,4-triazol-3-one-based small molecules as selective BRD9 binders”, Eur. J. Med. Chem., 2023, 247, 115018. https://doi.org/10.1016/j.ejmech.2022.115018
Potenza M.; Giordano A.; Chini M.G.; Saviano A.; Kretzer C.; Raucci  F.; Russo M.; Lauro G.; Terracciano S.; Bruno I.; Iorizzi M.; Hofstetter R.K.; Pace S.; Maione F.; Werz O.; Bifulco G.; ”Identification of 2-aminoacyl-1,3,4-thiadiazoles as prostaglandin E2 and leukotriene biosynthesis inhibitors”, ACS Med. Chem. Lett., 2023, 14, 26-34. https://doi.org/10.1021/acsmedchemlett.2c00343
	Di Micco S.; Di Sarno V.; Rossi M.; Vestuto V.; Konno T.; Novi S.; Tecce M.F.; Napolitano V.; Ciaglia T.; Vitale A.; Gomez-Monterrey I.M.; Bifulco G.; Bertamino A.; Ostacolo C.; Blasi P.; Fasano A.; Campiglia P.; Musella S.; “In silico identification and in vitro evaluation of new ABCG2 transporter inhibitors as potential anticancer agents”, Int. J. Mol. Sci., 2023, 24, 725. https://doi.org/10.3390/ijms24010725
Colarusso E.; Gazzillo E.; Boccia E.; Giordano A.; Chini M.G.; Bifulco G.; Lauro G.; “6-Methylquinazolin-4(3H)-one based compounds as BRD9 epigenetic reader binders: A rational combination of in silico studies and chemical synthesis.”, Eur. J. Org. Chem., 2022, 2022, e202200868. https://doi.org/10.1002/ejoc.202200868
	Di Micco S.; Terracciano S.; Pierri M.; Cantone V.; Liening S.; König S.; Garscha U.; Hofstetter R.K.; Koeberle A.; Werz O.; Bruno I.; Bifulco G.; “Identification of 2,4-dinitro-biphenyl-based compounds as MAPEG inhibitors”, ChemMedChem, 2022, 17, e202200327. https://doi.org/10.1002/cmdc.202200327
Cerqua I.; Musella S.; Peltner L.K.; D’Avino D.; Di Sarno V.; Granato E.; Vestuto V.; Di Matteo R.; Pace S.; Ciaglia T.; Bilancia R.; Smaldone G.; Di Matteo F.; Di Micco S.; Bifulco G.; Pepe G.; Basilicata M.G.; Rodriquez M.; Gomez-Monterrey I.M.; Campiglia P.; Ostacolo C.; Roviezzo F.; Werz O.; Rossi A.; Bertamino A.; “Discovery and optimization of indoline-based compounds as dual 5-LOX/sEH inhibitors: In vitro and in vivo anti-inflammatory characterization”, J. Med. Chem., 2022, 65, 14456-14480. https://doi.org/10.1021/acs.jmedchem.2c00817
	Ruggiero D.; Terracciano S.; Lauro G.; Pecoraro M.; Franceschelli S.; Bifulco G.; Bruno I.; “Structural refinement of 2,4-thiazolidinedione derivatives as new anticancer agents able to modulate the BAG3 protein.”, Molecules, 2022, 27, 665. https://doi.org/10.3390/molecules27030665
	Potenza M.; Sciarretta M.; Chini M.G.; Saviano A.; Maione F.; D’Auria M. V.; De Marino S.; Giordano A.; Hofstetter R. K.; Festa C.; Werz O.; Bifulco G.; “Structure-based screening for the discovery of 1,2,4-oxadiazoles as promising hits for the development of new anti-inflammatory agents interfering with eicosanoid biosynthesis pathways.”, Eur. J. Med. Chem., 2021, 224, 113693. https://doi.org/10.1016/j.ejmech.2021.113693

• Di Micco, S.; Terracciano, S.; Ruggiero, D.; Potenza, M.; Vaccaro, M. C.; Fischer, K.; Werz, O.; Bruno, I.; Bifulco, G., “Identification of 2-(thiophen-2-yl)acetic acid-based lead compound for mPGES-1 inhibition.”, Front. Chem., 2021, 9, 285. https://doi.org/10.3389/fchem.2021.676631
• Nemati, F.; Salehi, P.; Bararjanian, M.; Hadian, N.; Mohebbi, M.; Lauro, G.; Ruggiero, D.; Terracciano, S.; Bifulco, G.; Bruno, I., “Discovery of noscapine derivatives as potential β-tubulin inhibitors.”, Bioorg. Med. Chem. Lett., 2020, 30, 127489. https://doi.org/10.1016/j.bmcl.2020.127489
• Lauro, G.; Terracciano, S.; Cantone, V.; Ruggiero, D.; Fischer, K.; Pace, S.; Werz, O.; Bruno, I.; Bifulco, G., “A combinatorial virtual screening approach driving the synthesis of 2,4-thiazolidinedione-based molecules as new sual mPGES-1/5-LO inhibitors.”, ChemMedChem, 2020, 15, 481-489. https://doi.org/10.1002/cmdc.201900694
• Chini, M. G.; Giordano, A.; Potenza, M.; Terracciano, S.; Fischer, K.; Vaccaro, M. C.; Colarusso, E.; Bruno, I.; Riccio, R.; Koeberle, A.; Werz, O.; Bifulco, G., “Targeting mPGES-1 by a combinatorial approach: identification of the aminobenzothiazole scaffold to suppress PGE₂ levels.”, ACS Med. Chem. Lett., 2020, 11, 783-789. https://doi.org/10.1021/acsmedchemlett.9b00618