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Updated: Jul 12, 2025

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调查硫胺 - 人类血清白蛋白相互作用:使用多光谱学,DFT计算和分子对接的综合方法

Mingguo Peng1, Yicui Wang2, Chunge Wu3

  • 1School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China; School of Urban Construction, Changzhou University, Changzhou, 213164, China.

Biochemical and biophysical research communications
|October 20, 2023
PubMed
概括

硫胺抗生素 (SAs) 与人血清白蛋白 (HSA) 结合,而硫素显示出最强的亲和力. 这种由各种力量驱动的相互作用发生在HSA的子域IB中,并且可以通过SA化学结构来预测.

关键词:
DFT计算的计算方法人类血清白蛋白 (HSA)分子对接是分子对接.多种光谱学多种光谱学硫胺 (SAs) 是一种硫胺.

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