以染料木黄酮标记锝-99作为乳腺癌放射性示踪剂的雌激素受体靶向研究：其优化、表征及通过密度泛函理论计算预测稳定性常数
Estrogen receptor targeting with genistein radiolabeled Technetium-99 as radiotracer of breast cancer: Its optimization, characterization, and predicting stability constants by DFT calculation.
作者信息
Ramdhani Danni, Listiani Nita, Sriyani Maula Eka, Maria W Eva, Watabe Hiroshi, Mustarichie Resmi, Fitri Kusuma Sri Agung, Janitra Regaputra S
机构信息
Department of Pharmaceutical Analysis and Medicinal Chemistry, Padjadjaran University, Sumedang, West Java, 45363, Indonesia.
Division of Radiation Protection and Safety Control, Cyclotron and Radioisotope Center (CYRIC), Tohoku University, Sendai 980-0845, Japan.
出版信息
Heliyon. 2023 Jan 21;9(2):e13169. doi: 10.1016/j.heliyon.2023.e13169. eCollection 2023 Feb.
OBJECTIVE
Genistein is an isoflavone molecule with a high affinity for estrogen receptors (ER), which could lead to the mechanism of selective estrogen receptor modulators (SERMs) in breast cancer. Genistein labeling with technetium-99 can be a new promising strategy for diagnostic breast cancer. In this research, we evaluate the physicochemical characteristics of the [Tc]Tc-genistein complex and describe the optimal labeling method parameters. We also calculated density functional theory to study the stability constants to support complex formation analysis (DFT).
METHODS
The genistein was directly labeled with Tc, and its stability as well as its potential for usage as a radiotracer were all investigated. DFT calculations with thermodynamic cycles to determine chemical coordination models and calculate thermodynamic constants of complex more accurately.
RESULTS
The radiochemical purity of [Tc]Tc-genistein showed a high yield of 93.25% ± 0.30% and had good physicochemical properties. The stability of the Tc(IV)-genistein complex was confirmed by DFT calculations at a value of 99.0822.
CONCLUSIONS
As a result, [Tc]Tc-genistein could be a potential radiotracer kit for SPECT imaging of breast cancer.
目的
染料木黄酮是一种对雌激素受体（ER）具有高亲和力的异黄酮分子，这可能导致其在乳腺癌中发挥选择性雌激素受体调节剂（SERM）的作用机制。用锝-99标记染料木黄酮可能是一种用于诊断乳腺癌的新的有前景的策略。在本研究中，我们评估了[锝]锝-染料木黄酮复合物的物理化学特性，并描述了最佳标记方法参数。我们还计算了密度泛函理论以研究稳定性常数，以支持复合物形成分析（DFT）。
方法
将染料木黄酮直接用锝标记，并研究其稳定性以及作为放射性示踪剂的潜力。采用热力学循环进行DFT计算，以更准确地确定化学配位模型并计算复合物的热力学常数。
结果
[锝]锝-染料木黄酮的放射化学纯度显示出93.25%±0.30%的高产率，并且具有良好的物理化学性质。通过DFT计算证实锝（IV）-染料木黄酮复合物的稳定性值为99.0822。
结论
因此，[锝]锝-染料木黄酮可能是一种用于乳腺癌SPECT成像的潜在放射性示踪剂试剂盒。
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