Selectivity analyses of ?-benzylidene digoxin derivatives to different Na,K-ATPase ? isoforms: a molecular docking approach.
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ABSTRACT:
SUBMITTER: Pessoa MTC
PROVIDER: S-EPMC6009882 | biostudies-literature | 2018 Dec
REPOSITORIES: biostudies-literature
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Selectivity analyses of γ-benzylidene digoxin derivatives to different Na,K-ATPase α isoforms: a molecular docking approach.
Pessôa Marco T C MTC Alves Silmara L G SLG Taranto Alex G AG Villar José A F P JAFP Blanco Gustavo G Barbosa Leandro A LA
Journal of enzyme inhibition and medicinal chemistry 20181201 1
Digoxin and other cardiotonic steroids (CTS) exert their effect by inhibiting Na,K-ATPase (NKA) activity. CTS bind to the various NKA isoforms that are expressed in different cell types, which gives CTS their narrow therapeutic index. We have synthesised a series of digoxin derivatives (γ-Benzylidene digoxin derivatives) with substitutions in the lactone ring (including non-oxygen and ether groups), to obtain CTS with better NKA isoform specificity. Some of these derivatives show some NKA isofor ...[more]
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