title: Isatin analogs as novel inhibitors of Candida spp. β-carbonic anhydrase enzymes.
abstract: Enzyme inhibition data of structurally novel isatin-containing sulfonamides were determined for two carbonic anhydrases (CAs, EC 4.2.1.1) from pathogenic Candida species (CaNce103 from C. albicans and CgNce103 from C. glabrata). The compounds show KI values in the low nanomolar range for the fungal CAs, while they have significantly higher KI values for the human CAs. Homology models were constructed for the CaNce103 and CgNce103 and subsequently the ligands were docked into these models to rationalize their enzyme inhibitory properties.
authors.affiliation: Bezmialem Vakif University, Department of Pharmacology, Faculty of Pharmacy, Vatan Caddesi, 34093 Fatih, Istanbul, Turkey. Electronic address: aakdemir@bezmialem.edu.tr.
authors.forename: Atilla
authors.initials: A
authors.lastname: Akdemir
authors.affiliation: Istanbul University, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, 34116 Beyazit, Istanbul, Turkey.
authors.forename: Özlen
authors.initials: Ö
authors.lastname: Güzel-Akdemir
authors.affiliation: Istanbul University, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, 34116 Beyazit, Istanbul, Turkey.
authors.forename: Nilgün
authors.initials: N
authors.lastname: Karalı
authors.affiliation: Universita degli Studi di Firenze, NEUROFARBA Department, Sezione di Scienza Farmaceutiche, Via Ugo Schiff 6, 5001 Sesto Fiorentino (Florence), Italy. Electronic address: claudiu.supuran@unifi.it.
authors.forename: Claudiu T
authors.initials: CT
authors.lastname: Supuran
mesh_terms: D002175:Candida / Q000201:enzymology*; D002256:Carbonic Anhydrases / Q000378:metabolism*; D004305:Dose-Response Relationship, Drug; D004791:Enzyme Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D007510:Isatin / Q000031:analogs & derivatives* / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D008024:Ligands; D008958:Models, Molecular; D015394:Molecular Structure; D013329:Structure-Activity Relationship; D013449:Sulfonamides / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D004791:Enzyme Inhibitors; D008024:Ligands; D013449:Sulfonamides; D007510:Isatin; D002256:Carbonic Anhydrases
keywords: Candida; Carbonic anhydrase; Carbonic anhydrase inhibitors; Isatins; Sulfonamides