Harnessing coumarin-thio(seleno)cyanate conjugates: potent In vivo antiproliferative agents targeting carbonic anhydrases

We synthesised coumarin-based derivatives bearing thio- and selenocyanates to selectively inhibit tumour-associated carbonic anhydrases (CAs) IX and XII and to exert antiproliferative effects on tumour cells. Structural variations included chalcogen atom type (S, Se), substitutions at C-3/C-4, and t...

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Detalles Bibliográficos
Autores: Meza-Ireta, Silvia Alejandra, Romero-Hernández, Laura L., Begines, Paloma, Giouvannuzi, Simone, Puerta, Adrián, González-Bakker, Aday, Romero-Franco, Amador, Huertas, Pablo, Nocentini, Alessio, Vega-Báez, José Luis, Montiel-Smith, Sara, Fernández-Bolaños, José G., Castellano-Pozo, Maikel, Padrón, José M, Supuran, Claudiu T., Merino-Montiel, Penélope, López, Óscar
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2025
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/412199
Acceso en línea:http://hdl.handle.net/10261/412199
https://api.elsevier.com/content/abstract/scopus_id/105021200157
Access Level:acceso abierto
Palabra clave:C. elegans
Antiproliferative agents
Carbonic anhydrases
Coumarins
Organoselenium
Descripción
Sumario:We synthesised coumarin-based derivatives bearing thio- and selenocyanates to selectively inhibit tumour-associated carbonic anhydrases (CAs) IX and XII and to exert antiproliferative effects on tumour cells. Structural variations included chalcogen atom type (S, Se), substitutions at C-3/C-4, and tether length at C-7 of the coumarin core. Thiocyanates 4 and 7b showed potent CA IX/XII inhibition (Ki = 17.9-27.4 nM) with >5000-fold selectivity over off-target isoforms (CAs I and II). Selenocyanate 8a exhibited strong antiproliferative activity (GI50 = 0.78-2.6 µM) across six human solid tumour cell lines. Mechanistic studies revealed a cytostatic effect via cell cycle arrest and reduced mitotic progression. In vivo assays in Caenorhabditis elegans confirmed selective cytostatic action of selenocyanate 8c, reducing tumorous germline size without affecting healthy tissues at therapeutic doses.