Investigation on the interaction of letrozole with herring sperm DNA through spectroscopic and modeling methods

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• 作者：Yan-Mei Huang ; Shou-Jun Zheng ; Jin Yan ; Hong-Qin Yang ; Di Wu ; Qing Wang and Hui Li
• 刊名：Luminescence
• 出版年：2016
• 出版时间：August 2016
• 年：2016
• 卷：31
• 期：5
• 页码：1077-1084
• 全文大小：401K
• ISSN：1522-7243

文摘

The interaction of letrozole, an efficient and safe aromatase inhibitor, with herring sperm DNA (hsDNA) was investigated in vitro through spectroscopy analysis and molecular modeling to elucidate the binding mechanism of anticancer drugs and DNA. The binding constant and the number of binding sites were 2.13 × 10⁴ M⁻¹ and 1.09, respectively, at 298 K. Thermodynamic parameters (ΔG, ΔH and ΔS) exhibited negative values, which indicated that binding was spontaneous and Van der Waals forces and hydrogen bond were the main interaction forces. Fourier transform infrared spectroscopy and other spectroscopy analysis methods illustrated that letrozole could intercalate into the phosphate backbone of hsDNA and interact with the nitrogenous bases. Consistent with the experimental findings, molecular modeling results demonstrated that the interaction was dominated by intercalation and hydrogen bonding. Copyright