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The evaluation of acute toxicity, antimicrobial activity of 1-phenyl-5-p-tolyl-1H-1, 2, 3-triazole, and binding to human serum albumin.
Journal of Biochemical and Molecular Toxicology ( IF 3.2 ) Pub Date : 2017-07-17 , DOI: 10.1002/jbt.21959
Hong-Ye Duan 1 , Jian-Ling Li 1 , Lu-Yong Wu 1 , Huo-Ming Shu 2 , Yu-Xue Chen 1 , Guo-Hua Ding 1 , Run-Cong Dong 3 , Hong-Zong Si 4 , Xia Zhong 5 , Wen-Ying He 1
Affiliation  

1‐Phenyl‐5‐p‐tolyl‐1H‐1, 2, 3‐triazole (PPTA) was a synthesized compound. The result of acute toxicities to mice of PPTA by intragastric administration indicated that PPTA did not produce any significant acute toxic effect on Kunming strain mice. It exhibited the various potent inhibitory activities against two kinds of bananas pathogenic bacteria, black sigatoka and freckle, when compared with that of control drugs and the inhibitory rates were up to 64.14% and 43.46%, respectively, with the same concentration of 7.06 mM. The interaction of PPTA with human serum albumin (HSA) was studied using fluorescence polarization, absorption spectra, 3D fluorescence, and synchronous spectra in combination with quantum chemistry and molecular modeling. Multiple modes of interaction between PPTA and HSA were suggested to stabilize the PPTA–HSA complex, based on thermodynamic data and molecular modeling. Binding of PPTA to HSA induced perturbation in the microenvironment around HSA as well as secondary structural changes in the protein.

中文翻译:

评估急性毒性,1-苯基-5-对甲苯基-1H-1、2、3-三唑的抗微生物活性以及与人血清白蛋白的结合。

1-苯基-5-对甲苯基-1H-1、2、3-三唑(PPTA)是合成的化合物。通过胃内给药对PPTA的小鼠产生急性毒性的结果表明,PPTA对昆明品系小鼠没有产生任何明显的急性毒性作用。与对照药物相比,它对两种香蕉致病菌黑百灵和雀斑具有多种有效的抑制作用,在7.06 mM的相同浓度下,其抑制率分别达到64.14%和43.46%。利用荧光偏振,吸收光谱,3D荧光和同步光谱,结合量子化学和分子模型,研究了PPTA与人血清白蛋白(HSA)的相互作用。建议使用PPTA和HSA之间的多种相互作用方式来稳定PPTA-HSA复合物,基于热力学数据和分子模型。PPTA与HSA的结合在HSA周围的微环境中诱导了扰动,以及蛋白质的二级结构变化。
更新日期:2017-07-17
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