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Investigation on the interaction of letrozole with herring sperm DNA through spectroscopic and modeling methods
Author(s) -
Huang YanMei,
Zheng ShouJun,
Yan Jin,
Yang HongQin,
Wu Di,
Wang Qing,
Li Hui
Publication year - 2016
Publication title -
luminescence
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.428
H-Index - 45
eISSN - 1522-7243
pISSN - 1522-7235
DOI - 10.1002/bio.3074
Subject(s) - herring , letrozole , sperm , dna , chemistry , computational biology , computer science , biology , genetics , fishery , biochemistry , fish <actinopterygii> , aromatase , cancer , breast cancer
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 × 10 4 M −1 and 1.09, respectively, at 298 K. Thermodynamic parameters (Δ G , Δ H and Δ S ) 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 © 2015 John Wiley & Sons, Ltd.