: A series of sulfamide fragments has been synthesised and investigated for human carbonic anhydrase inhibition. One of the fragments showing greater selectivity for cancer-related isoforms hCA IX and XII was co-crystalized with hCA II showing significant potential for fragment periphery evolution via fragment growth and linking. These opportunities will be identified in the future via the screening of this fragment structure for co-operative carbonic anhydrase binding with other structurally diverse fragments.[Figure: see text].
Diversely substituted sulfamides for fragment-based drug discovery of carbonic anhydrase inhibitors: synthesis and inhibitory profile / Sharonova, Tatiana; Zhmurov, Petr; Kalinin, Stanislav; Nocentini, Alessio; Angeli, Andrea; Ferraroni, Marta; Korsakov, Mikhail; Supuran, Claudiu T; Krasavin, Mikhail. - In: JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY. - ISSN 1475-6366. - ELETTRONICO. - 37:(2022), pp. 857-865-865. [10.1080/14756366.2022.2051023]
Diversely substituted sulfamides for fragment-based drug discovery of carbonic anhydrase inhibitors: synthesis and inhibitory profile
Nocentini, Alessio;Angeli, Andrea;Ferraroni, Marta;Supuran, Claudiu T;
2022
Abstract
: A series of sulfamide fragments has been synthesised and investigated for human carbonic anhydrase inhibition. One of the fragments showing greater selectivity for cancer-related isoforms hCA IX and XII was co-crystalized with hCA II showing significant potential for fragment periphery evolution via fragment growth and linking. These opportunities will be identified in the future via the screening of this fragment structure for co-operative carbonic anhydrase binding with other structurally diverse fragments.[Figure: see text].I documenti in FLORE sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.