Qsar evaluation of the Ch'an Su and related bufadienolides against the colchicine-resistant primary liver carcinoma cell line PLC/PRF/5

Yoshiaki Kamano, Ayano Yamashita, Toshihiko Nogawa, Hiroshi Morita, Koichi Takeya, Hideji Itokawa, Toshiaki Segawa, Ayako Yukita, Kyoko Saito, Mariko Katsuyama, George Pettit

Research output: Contribution to journalArticlepeer-review

88 Scopus citations

Abstract

QSAR analysis has been used to identify the essential structural requirements for increasing the inhibitory activities of selected bufadienolides from the Chinese drug Ch'an Su (and other sources) against the primary liver carcinoma cell line PLC/PRF/5 (PLC) and the derived colchicine-resistant line (COL). The variable substituent domain of the proposed pharmacophore of the bufadienolides was investigated using a Comparative Molecular Field Analysis (CoMFA) approach. A model with considerable predictive ability was obtained. In addition, the CoMFA results agreed well with the pharmacophore bufadienolide model for the parent PLC line proposed earlier.

Original languageEnglish (US)
Pages (from-to)5440-5447
Number of pages8
JournalJournal of Medicinal Chemistry
Volume45
Issue number25
DOIs
StatePublished - Dec 5 2002

ASJC Scopus subject areas

  • Molecular Medicine
  • Drug Discovery

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