Zou, Luyi; Zhang, Xiaoyue; Shao, Mingying; Sun, Ruirui; Zhu, Yuting; Zou, Binbin; Huang, Zhenxing; Liu, He; Teng, Yue published the artcile< A biophysical probe on the binding of 2-mercaptothioazoline to bovine hemoglobin>, Application In Synthesis of 96-53-7, the main research area is mercaptothioazoline bovine Hb physiol function; 2-Mercaptothioazoline; Binding interaction; Conformation investigation; Hemoglobin; Molecular modeling; Spectroscopic studies.
2-Mercaptothiazoline (MTZ) is broadly present in daily use as an antifungal reagent, a brightening agent, and a corrosion inhibitor. MTZ is potentially harmful for human health. Although the toxic effects of MTZ on exptl. animals have been reported, the effects of MTZ on the proteins in the circulatory system at the mol. level have not been identified previously. Here, we explored the interaction of MTZ with bovine Hb (BHb) in vitro using multiple spectroscopic techniques and mol. docking. In this study, the binding capacity, acting force, binding sites, mol. docking simulation, and conformational changes were investigated. MTZ quenched the intrinsic emission of BHb via the static quenching process and could spontaneously bind with BHb mainly through van der Waals forces and hydrogen bond. The computational docking visualized that MTZ bound to the β2 subunit of BHb, which further led to some changes of the skeleton and secondary structure of BHb. This research provides valuable information about the mol. mechanisms on BHb induced by MTZ and is beneficial for clarifying the toxicol. actions of MTZ in blood.
Environmental Science and Pollution Research published new progress about Absorption. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Application In Synthesis of 96-53-7.
Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica