title: QSAR evaluation of the Ch'an Su and related bufadienolides against the colchicine-resistant primary liver carcinoma cell line PLC/PRF/5(1).
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.
authors.affiliation: Faculty of Science, Kanagawa University, 2946 Tsuchiya, Hiratsuka, Kanagawa 259-1293, Japan.
authors.forename: Yoshiaki
authors.initials: Y
authors.lastname: Kamano
authors.forename: Ayano
authors.initials: A
authors.lastname: Yamashita
authors.forename: Toshihiko
authors.initials: T
authors.lastname: Nogawa
authors.forename: Hiroshi
authors.initials: H
authors.lastname: Morita
authors.forename: Koichi
authors.initials: K
authors.lastname: Takeya
authors.forename: Hideji
authors.initials: H
authors.lastname: Itokawa
authors.forename: Toshiaki
authors.initials: T
authors.lastname: Segawa
authors.forename: Ayako
authors.initials: A
authors.lastname: Yukita
authors.forename: Kyoko
authors.initials: K
authors.lastname: Saito
authors.forename: Mariko
authors.initials: M
authors.lastname: Katsuyama
authors.forename: George R
authors.initials: GR
authors.lastname: Pettit
mesh_terms: D000970:Antineoplastic Agents / Q000737:chemistry / Q000494:pharmacology*; D002018:Bufanolides / Q000737:chemistry / Q000494:pharmacology*; D003078:Colchicine / Q000494:pharmacology*; D019008:Drug Resistance, Neoplasm; D004354:Drug Screening Assays, Antitumor; D006801:Humans; D008113:Liver Neoplasms; D008958:Models, Molecular; D021281:Quantitative Structure-Activity Relationship; D014407:Tumor Cells, Cultured
chemical_list: D000970:Antineoplastic Agents; D002018:Bufanolides; C095591:chan su; D003078:Colchicine