کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5417911 | 1506970 | 2007 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
QSAR study of α-tocopherol derivatives with chemotherapeutic activity against human breast cancer cells
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
α-Tocopherol compounds with lysine, succinic, and butyric acid are inducing human MCF-7 breast cancer cells to undergo apoptosis via destabilization of lysosomal and mitochondrial membranes. Here the QSAR models for anticancer agents were performed to correlate their physicochemical properties with biological activities. Liposolubility at pH 5.0 (log D), number of methyl groups in aliphatic side chain, partial charge of oxygen atom in the structure and dipole moment, account for the anticancer activity of α-tocopherol derivatives. Multiple linear regression models with two, three and four variables, for MCF-7 breast cancer cell lines, were obtained with R2 > 0.83 and cross-validation parameter, qpre2>0.66. The QSAR approach can help in understanding structural features that contribute to the action of the molecules, and hence can be used to design drugs with better anticancer activity.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 809, Issues 1â3, 14 May 2007, Pages 137-143
Journal: Journal of Molecular Structure: THEOCHEM - Volume 809, Issues 1â3, 14 May 2007, Pages 137-143
نویسندگان
Katarina M. Nikolic,