Carbonic anhydrases (CA) are widespread metalloenzymes all over the phylogenetic tree, with at least 4 distinct gene families encoding for them. CA modulators show applications as diuretics and antiglaucoma drugs, anticonvulsants, with some compounds being developed as anticancer agents/diagnostic tools for tumors, antiobesity agents, and antimicrobials/antifungals.
Part of our team is dedicated to provide in silico studies to support the hit identification and lead optimization of new CA modulators.
Publications.
208.
Resveratrol Analogues as Dual Inhibitors of Monoamine Oxidase B and Carbonic Anhydrase VII: A New Multi-Target Combination for Neurodegenerative Diseases? Carradori S, Fantacuzzi M, Ammazzalorso A, Angeli A, De Filippis B, Galati S, Petzer A, Petzer JP, Poli G, Tuccinardi T, Agamennone M, Supuran CT. Molecules. 2022, 27(22):7816.
165.
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.
160.
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.
155.
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.
145.
N-aryl-N’-ureido-O-sulfamates: Potent and selective inhibitors of the human Carbonic Anhydrase VII isoform with neuropathic pain relieving properties. Bozdag M, Poli G, Angeli A, Lucarini E, Tuccinardi T, Di Cesare Mannelli L, Selleri S, Ghelardini C, Winum JY, Carta F, Supuran CT. Bioorg Chem. 2019, 89:103033.
140.
Novel 8-substituted coumarins that selectively inhibit human carbonic anhydrase IX and XII. Buran K, Bua S, Poli G, Önen Bayram FE, Tuccinardi T, Supuran CT. Int J Mol Sci. 2019, 20(5). pii: E1208.
139.
Pyridazinone-substituted benzenesulfonamides display potent inhibition of membrane-bound human carbonic anhydrase IX and promising antiproliferative activity against cancer cell lines. Krasavin M, Shetnev A, Baykov S, Kalinin S, Nocentini A, Sharoyko V, Poli G, Tuccinardi T, Korsakov M, Tennikova TB, Supuran CT. Eur J Med Chem. 2019, 168:301-314.
131.
Continued exploration of 1,2,4-oxadiazole periphery for carbonic anhydrase-targeting primary arene sulfonamides: Discovery of subnanomolar inhibitors of membrane-bound hCA IX isoform that selectively kill cancer cells in hypoxic environment. Krasavin M, Shetnev A, Sharonova T, Baykov S, Kalinin S, Nocentini A, Sharoyko V, Poli G, Tuccinardi T, Presnukhina S, Tennikova TB, Supuran CT. Eur J Med Chem. 2019, 164:92-105.
128.
Development of a Fingerprint-Based Scoring Function for the Prediction of the Binding Mode of Carbonic Anhydrase II Inhibitors. Poli G, Jha V, Martinelli A, Supuran CT, Tuccinardi T. Int J Mol Sci. 2018, 19(7). pii: E1851.
118.
Heterocyclic periphery in the design of carbonic anhydrase inhibitors: 1,2,4-Oxadiazol-5-yl benzenesulfonamides as potent and selective inhibitors of cytosolic hCA II and membrane-bound hCA IX isoforms. Krasavin M, Shetnev A, Sharonova T, Baykov S, Tuccinardi T, Kalinin S, Angeli A, Supuran CT. Bioorg Chem. 2018, 76:88-97.
115.
Lucky switcheroo: dramatic potency and selectivity improvement of imidazoline inhibitors of human carbonic anhydrase VII. Kalinin S, Kopylov S, Tuccinardi T, Sapegin A, Darin D, Angeli A, Supuran CT, Krasavin M. ACS Med Chem Lett. 2017, 8(10):1105-1109.
111.
Primary mono- and bis-sulfonamides obtained via regiospecific sulfochlorination of N-arylpyrazoles: inhibition profile against a panel of human carbonic anhydrases. Krasavin M, Korsakov M, Ronzhina O, Tuccinardi T, Kalinin S, Tanç M, Supuran CT. J Enzyme Inhib Med Chem. 2017, 32(1):920-934.
109.
Human carbonic anhydrase inhibitory profile of mono- and bis-sulfonamides synthesized via a direct sulfochlorination of 3- and 4-(hetero)arylisoxazol-5-amine scaffolds. Krasavin M, Korsakov M, Zvonaryova Z, Semyonychev E, Tuccinardi T, Kalinin S, Tanç M, Supuran CT. Bioorg. Med. Chem. 2017, 25(6):1914-1925.
101.
Inhibition of carbonic anhydrase isoforms I, II, IX and XII with secondary sulfonamides incorporating benzothiazole scaffolds. Petrou A, Geronikaki A, Terzi E, Ozensoy Guler O, Tuccinardi T, Supuran CT. J Enzyme Inhib Med Chem. 2016, 31(6):1306-1311.
97.
Pyrazolylbenzo[d]imidazoles as new potent and selective inhibitors of carbonic anhydrase isoforms hCA IX and XII. Kumar S, Ceruso M, Tuccinardi T, Supuran CT, Sharma PK. Bioorg Med Chem. 2016, 24(13):2907-29013.
89.
Probing the ‘bipolar’ nature of the carbonic anhydrase active site: aromatic sulfonamides containing 1,3-oxazol-5-yl moiety as picomolar inhibitors of cytosolic CA I and CA II isoforms. Krasavin M, Korsakov M, Dorogov M, Tuccinardi T, Dedeoglu N, Supuran CT. Eur J Med Chem. 2015, 101:334-347.
65.
Salicylaldoxime derivatives as new leads for the development of Carbonic Anhydrase inhibitors. Tuccinardi T, Bertini S, Granchi C, Ortore G, Macchia M, Minutolo F, Martinelli A, Supuran CT. Bioorg Med Chem. 2013, 21(6):1511-1515.
34.
Dual Inhibitors of Matrix Metalloproteinases and Carbonic Anhydrases: Iminodiacetyl-Based Hydroxamate−Benzenesulfonamide Conjugates. Marques SM, Nuti E, Rossello A, Supuran CT, Tuccinardi T, Martinelli A, Santos MA. J Med Chem 2008, 51(24):7968-7979.
24.
Homology Modelling and Receptor-Based 3D-QSAR study of Carbonic Anhydrase IX. Tuccinardi T, Ortore G, Supuran CT, Rossello A, Martinelli A. J Chem Inf Mod. 2007, 47(6):2253-2262.
17.
Analysis of human Carbonic Anhydrase II: Docking Reliability and Receptor-Based 3D-QSAR study. Tuccinardi T, Nuti E, Ortore G, Supuran CT, Rossello A, Martinelli A. J Chem Inf Mod. 2007 47(2):515-525.
