Synthesis, biological activity and multiscale molecular modeling studies for coumaryl-carboxamide derivatives as selective carbonic anhydrase IX inhibitors

Synthesis, biological activity and multiscale molecular modeling studies for coumaryl-carboxamide derivatives as selective carbonic anhydrase IX inhibitors

New coumaryl-carboxamide derivatives with the thiourea moiety as a linker between the alkyl chains and/or the heterocycle nucleus were synthesized and their inhibitory activity against the human carbonic anhydrase (hCA) isoforms hCA I, II, VII and IX were evaluated. While the hCA I, II and VII isofo...

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Bibliographic Details
Main Authors: Belma Zengin Kurt, Fatih Sonmez, Serdar Durdagi, Busecan Aksoydan, Ramin Ekhteiari Salmas, Andrea Angeli, Mustafa Kucukislamoglu, Claudiu T. Supuran
Format: Article
Language:English
Published: Taylor & Francis Group 2017-01-01
Series:Journal of Enzyme Inhibition and Medicinal Chemistry
Subjects:
Coumarin
carboxamid
thiourea
carbonic anhydrase
molecular docking
induced fit docking
quantum polarised ligand docking
Online Access:http://dx.doi.org/10.1080/14756366.2017.1354857

Internet

http://dx.doi.org/10.1080/14756366.2017.1354857

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