QSAR Evaluation of the Ch'an Su and Related Bufadienolides against the Colchicine-Resistant Primary Liver Carcinoma Cell Line PLC/PRF/5

Autor:	Koichi Takeya, Mariko Katsuyama, Yoshiaki Kamano, Ayako Yukita, George R. Pettit, Toshiaki Segawa, Ayano Yamashita, Kyoko Saito, Hideji Itokawa, Hiroshi Morita, Toshihiko Nogawa
Rok vydání:	2002
Předmět:	Quantitative structure–activity relationship Molecular model Chemistry Stereochemistry medicine.medical_treatment Bufadienolide Steroid chemistry.chemical_compound Cell culture Drug Discovery medicine Molecular Medicine Colchicine Pharmacophore Cytotoxicity
Zdroj:	Journal of Medicinal Chemistry. 45:5440-5447
ISSN:	1520-4804 0022-2623
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::669550f0eba17b526d9a3b4bcefb9a45 https://doi.org/10.1021/jm0202066 Zobrazit plný text záznamu