QSAR study of alpha-tocopherol derivatives with chemotherapeutic activity against human breast cancer cells
Само за регистроване кориснике
2007
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
alpha-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 a-tocopherol derivatives. Multiple linear regression models with two, three and four variables, for MCF-7 breast cancer cell lines, were obtained with R-2 > 0.83 and cross-validation parameter, q(pre)(2) > 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.
Кључне речи:
alpha-tocopherol / cholesterol / lysine / human breast cancerИзвор:
Journal of Molecular Structure - THEOCHEM, 2007, 809, 1-3, 137-143Издавач:
- Elsevier Science BV, Amsterdam
DOI: 10.1016/j.theochem.2007.01.026
ISSN: 0166-1280
WoS: 000246503200017
Scopus: 2-s2.0-34147192479
Институција/група
PharmacyTY - JOUR AU - Nikolić, Katarina PY - 2007 UR - https://farfar.pharmacy.bg.ac.rs/handle/123456789/918 AB - alpha-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 a-tocopherol derivatives. Multiple linear regression models with two, three and four variables, for MCF-7 breast cancer cell lines, were obtained with R-2 > 0.83 and cross-validation parameter, q(pre)(2) > 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. PB - Elsevier Science BV, Amsterdam T2 - Journal of Molecular Structure - THEOCHEM T1 - QSAR study of alpha-tocopherol derivatives with chemotherapeutic activity against human breast cancer cells VL - 809 IS - 1-3 SP - 137 EP - 143 DO - 10.1016/j.theochem.2007.01.026 ER -
@article{ author = "Nikolić, Katarina", year = "2007", abstract = "alpha-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 a-tocopherol derivatives. Multiple linear regression models with two, three and four variables, for MCF-7 breast cancer cell lines, were obtained with R-2 > 0.83 and cross-validation parameter, q(pre)(2) > 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.", publisher = "Elsevier Science BV, Amsterdam", journal = "Journal of Molecular Structure - THEOCHEM", title = "QSAR study of alpha-tocopherol derivatives with chemotherapeutic activity against human breast cancer cells", volume = "809", number = "1-3", pages = "137-143", doi = "10.1016/j.theochem.2007.01.026" }
Nikolić, K.. (2007). QSAR study of alpha-tocopherol derivatives with chemotherapeutic activity against human breast cancer cells. in Journal of Molecular Structure - THEOCHEM Elsevier Science BV, Amsterdam., 809(1-3), 137-143. https://doi.org/10.1016/j.theochem.2007.01.026
Nikolić K. QSAR study of alpha-tocopherol derivatives with chemotherapeutic activity against human breast cancer cells. in Journal of Molecular Structure - THEOCHEM. 2007;809(1-3):137-143. doi:10.1016/j.theochem.2007.01.026 .
Nikolić, Katarina, "QSAR study of alpha-tocopherol derivatives with chemotherapeutic activity against human breast cancer cells" in Journal of Molecular Structure - THEOCHEM, 809, no. 1-3 (2007):137-143, https://doi.org/10.1016/j.theochem.2007.01.026 . .