Resorcinol (1,3-dihydroxybenzene) is a common coupling agent in permanent hair dyes, and has arrested people's attention for its potential hazard to human health. However, the action mechanism of resorcinol and human DNA has not been elucidated. In this research, the binding properties between resorcinol and calf thymus DNA (ct-DNA) were studied for the first time through various spectral and molecular docking techniques. Spectral studies showed that the initial fluorescence quenching of resorcinol against DNA was a static one. The result of ΔH < 0 and ΔS > 0 was produced from thermodynamic experimental data, therefore it could be concluded that electrostatic force was the major driving force, while binding constant K_b was 1.56 × 10⁴ M⁻¹ at 298 K. The electrostatic binding network between resorcinol and ct-DNA was established explicitly through competitive substitution analysis and other spectral approaches. The results of FT-IR absorption spectra indicated that resorcinol had bound to the DNA phosphate skeleton. Molecular docking clearly revealed that binding occurred between hydroxyl groups of resorcinol and phosphorus oxygen bonds (P–O) of the DNA skeleton. These findings may deepen our understanding of the action mechanism between resorcinol and ct-DNA and provide some useful data on the effect of resorcinol on human diseases.

中文翻译：

---

揭示间苯二酚和 DNA 之间的结合特性

间苯二酚（1,3-二羟基苯）是永久性染发剂中常见的偶联剂，因其对人体健康的潜在危害而引起人们的关注。然而，间苯二酚和人类DNA的作用机制尚未阐明。在这项研究中，首次通过各种光谱和分子对接技术研究了间苯二酚和小牛胸腺 DNA (ct-DNA) 之间的结合特性。光谱研究表明，间苯二酚对 DNA 的初始荧光猝灭是静态的。ΔH < 0 和 ΔS > 0 的结果是由热力学实验数据得出的，因此可以得出结论，静电力是主要驱动力，而结合常数 K _b为 1.56 × 10 ⁴  M ^-1在 298 K。间苯二酚和 ct-DNA 之间的静电结合网络是通过竞争性取代分析和其他光谱方法明确建立的。FT-IR 吸收光谱结果表明间苯二酚与 DNA 磷酸骨架结合。分子对接清楚地表明，间苯二酚的羟基与 DNA 骨架的磷氧键 (P-O) 之间发生了结合。这些发现可能加深我们对间苯二酚与 ct-DNA 之间作用机制的理解，并为间苯二酚对人类疾病的影响提供一些有用的数据。