Structural Insights into the Interactions of Digoxin and Na⁺/K⁺-ATPase and Other Targets for the Inhibition of Cancer Cell Proliferation.

ABSTRACT: Digoxin is a cardiac glycoside long used to treat congestive heart failure and found recently to show antitumor potential. The hydroxy groups connected at the C-12, C-14, and C-3'a positions; the C-17 unsaturated lactone unit; the conformation of the steroid core; and the C-3 saccharide moiety have been demonstrated as being important for digoxin's cytotoxicity and interactions with Na⁺/K⁺-ATPase. The docking profiles for digoxin and several derivatives and Na⁺/K⁺-ATPase were investigated; an additional small Asn130 side pocket was revealed, which could be useful in the design of novel digoxin-like antitumor agents. In addition, the docking scores for digoxin and its derivatives were found to correlate with their cytotoxicity, indicating a potent

SUBMITTER: Ren Y 

PROVIDER: S-EPMC8234910 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature