10.1371/journal.pone.0108776.g001
Sayonarah C. Rocha
Sayonarah
C. Rocha
Marco T. C. Pessoa
Marco
T. C. Pessoa
Luiza D. R. Neves
Luiza
D. R. Neves
Silmara L. G. Alves
Silmara
L. G. Alves
Luciana M. Silva
Luciana M.
Silva
Herica L. Santos
Herica
L. Santos
Soraya M. F. Oliveira
Soraya
M. F. Oliveira
Alex G. Taranto
Alex
G. Taranto
Moacyr Comar
Moacyr
Comar
Isabella V. Gomes
Isabella
V. Gomes
Fabio V. Santos
Fabio
V. Santos
Natasha Paixão
Natasha
Paixão
Luis E. M. Quintas
Luis
E. M. Quintas
François Noël
François
Noël
Antonio F. Pereira
Antonio
F. Pereira
Ana C. S. C. Tessis
Ana
C. S. C. Tessis
Natalia L. S. Gomes
Natalia
L. S. Gomes
Otacilio C. Moreira
Otacilio
C. Moreira
Ruth Rincon-Heredia
Ruth
Rincon-Heredia
Fernando P. Varotti
Fernando
P. Varotti
Gustavo Blanco
Gustavo
Blanco
Jose A. F. P. Villar
Jose
A. F. P. Villar
Rubén G. Contreras
Rubén
G. Contreras
Leandro A. Barbosa
Leandro
A. Barbosa
Structure and pharmacophoric conformation of 21-BD.
Public Library of Science
2014
bd
Junctions Cardiotonic steroids
RKO cancer cells
na
cardiotonic
modulates epithelial cell adhesion
db
multidrug exporter Pdr 5p
digoxin
epithelial MDCK cells
lactone ring
2014-10-07 03:18:49
Figure
https://plos.figshare.com/articles/figure/_Structure_and_pharmacophoric_conformation_of_21_BD_/1196745
<p>(A) Chemical structure of ouabain, digoxin, and 21-BD. (B) Left: whole structure of Na,K-ATPase (PDB: 4HYT) showed in solid ribbon representation, where the alpha-helix, beta-sheets and turns are in red, blue and gray, respectively; right: highlight of the binding site with ouabain shown in tube representation. Dashed red lines indicate hydrogen bonds. Only polar hydrogen atoms were showed for a better visualization. Pharmacophoric conformation of, (C) digoxin and (D) 21-BD; polar and nonpolar interactions are depicted by magenta and green colors, respectively. Dashed lines indicate hydrogen bonds. Residue interactions are color coded as indicated in the inserted scale.</p>