Carbonic anhydrase inhibitors: A quantum mechanical study of interaction between some antiepileptic drugs with active center of carbonic anhydrase enzyme

Article ID	Journal	Published Year	Pages	File Type
5394578	Computational and Theoretical Chemistry	2012	11 Pages	PDF

Abstract

âº The interaction between the CA active site enzyme and six inhibitors is studied. âº Thermodynamic functions for all CA-inhibitor complexes have been determined. âº All the inhibitors are tetrahedrally coordinated to the zinc ion of the enzyme. âº The results show that the sulfonamide moiety to be potent inhibition of the CA.

Keywords

QM calculation Thermodynamic functions Topiramate Inhibitors Carbonic anhydrase

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

Preview

Carbonic anhydrase inhibitors: A quantum mechanical study of interaction between some antiepileptic drugs with active center of carbonic anhydrase enzyme

Authors

Mina Ghiasi, Saeedeh Kamalinahad, Masoud Arabieh, Mansour Zahedi,