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

doi:10.1021/jm0202066

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

Molecular Sciences, School of (SMS)

Research output: Contribution to journal › Article › peer-review

95 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 language	English (US)
Pages (from-to)	5440-5447
Number of pages	8
Journal	Journal of Medicinal Chemistry
Volume	45
Issue number	25
DOIs	https://doi.org/10.1021/jm0202066
State	Published - Dec 5 2002

ASJC Scopus subject areas

Molecular Medicine
Drug Discovery

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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.",

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

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AU - Kamano, Yoshiaki

AU - Yamashita, Ayano

AU - Nogawa, Toshihiko

AU - Morita, Hiroshi

AU - Takeya, Koichi

AU - Itokawa, Hideji

AU - Segawa, Toshiaki

AU - Yukita, Ayako

AU - Saito, Kyoko

AU - Katsuyama, Mariko

AU - Pettit, George

PY - 2002/12/5

Y1 - 2002/12/5

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AB - 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.

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

Abstract

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