title: Eriocitrin and Apigenin as New Carbonic Anhydrase VA Inhibitors from a Virtual Screening of Calabrian Natural Products.
abstract: In this work, we performed a structure-based virtual screening against five carbonic anhydrase isoforms using, as a ligand library, natural components of Citrus bergamia (Bergamot) and Allium cepa var. Tropea (red onion) sources, which are some typical Calabrian products. The most relevant Bergamot and red onion components, identified as potentially new hits by means of the computational work, were submitted to in vitro tests in order to confirm the ability to exert the predicted biological activity. Apigenin and eriocitrin were identified as new potent inhibitors of human carbonic anhydrase VA isozyme.
authors.affiliation: Dipartimento di Scienze della Salute, Università "Magna Graecia" di Catanzaro, Campus "S. Venuta", Catanzaro, Italy.
authors.forename: Maria Concetta
authors.initials: MC
authors.lastname: Gidaro
authors.affiliation: Dipartimento di Scienze della Salute, Università "Magna Graecia" di Catanzaro, Campus "S. Venuta", Catanzaro, Italy.
authors.forename: Francesca
authors.initials: F
authors.lastname: Alcaro
authors.affiliation: Dipartimento di Chimica e Tecnologie del Farmaco, Sapienza University of Rome, Rome, Italy.
authors.forename: Simone
authors.initials: S
authors.lastname: Carradori
authors.affiliation: Dipartimento di Scienze della Salute, Università "Magna Graecia" di Catanzaro, Campus "S. Venuta", Catanzaro, Italy.
authors.forename: Giosuè
authors.initials: G
authors.lastname: Costa
authors.affiliation: Laboratorio di Chimica Bioinorganica, Polo Scientifico, Università degli Studi di Firenze, Sesto Fiorentino, Florence, Italy.
authors.forename: Daniela
authors.initials: D
authors.lastname: Vullo
authors.affiliation: Laboratorio di Chimica Bioinorganica, Polo Scientifico, Università degli Studi di Firenze, Sesto Fiorentino, Florence, Italy.
authors.forename: Claudiu T
authors.initials: CT
authors.lastname: Supuran
authors.affiliation: Dipartimento di Scienze della Salute, Università "Magna Graecia" di Catanzaro, Campus "S. Venuta", Catanzaro, Italy.
authors.forename: Stefano
authors.initials: S
authors.lastname: Alcaro
mesh_terms: D000490:Allium / Q000737:chemistry*; D047310:Apigenin / Q000494:pharmacology*; D001688:Biological Products / Q000737:chemistry / Q000494:pharmacology; D002257:Carbonic Anhydrase Inhibitors / Q000302:isolation & purification / Q000494:pharmacology*; D002957:Citrus / Q000737:chemistry*; D044950:Flavanones / Q000494:pharmacology*
chemical_list: D001688:Biological Products; D002257:Carbonic Anhydrase Inhibitors; D044950:Flavanones; D047310:Apigenin; C114706:eriocitrin