Skip to content
2000
Volume 14, Issue 3
  • ISSN: 1570-1808
  • E-ISSN: 1875-628X

Abstract

Background: Biotransformed bufadienolides are new kind of cytotoxic products with novel structures. Method: Herein, 3D-QSAR analyses were performed on bufadienolides using CoMFA and CoMSIA to learn the structure-activity relationship and the mechanism of action of these compounds. The cross-validated q2value of CoMFA is 0.648 and q2value of CoMSIA is 0.635. The non-crossvalidated r2 value of CoMFA is 0.963 and r2 values of CoMSIA is 0.961. The 3D-QSAR models we obtained were illustrated through CoMFA and CoMSIA contour plots. Results: That will be valuable in predicting cytotoxic activities against cancer cells, and could be used to design potent anticancer drugs.

Loading

Article metrics loading...

/content/journals/lddd/10.2174/1570180813666160906150621
2017-03-01
2025-06-01
Loading full text...

Full text loading...

/content/journals/lddd/10.2174/1570180813666160906150621
Loading

  • Article Type:
    Research Article
Keyword(s): bufadienolides; CoMFA; CoMSIA; cytotoxic activities; QSAR
This is a required field
Please enter a valid email address
Approval was a Success
Invalid data
An Error Occurred
Approval was partially successful, following selected items could not be processed due to error
Please enter a valid_number test