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Updated: May 13, 2025

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对选择性MraY抑制剂的基于结构的预测

Sonali Chavan1, Thomas Olsson1, Gunnar Nyman1

  • 1Department of Chemistry and Molecular Biology, University of Gothenburg, 405 30, Göteborg, Sweden.

Journal of molecular graphics & modelling
|April 15, 2025
PubMed
概括

研究人员确定了新的选择性MraY抑制剂,以对抗抗生素耐药性. 这项计算研究选化合物,以寻找针对细菌细胞壁合成的新药,避免人类酶交叉反应.

关键词:
抗生素耐药性 抗生素耐药性分子对接是分子对接.分子动力学分子动力学MraY (酸-N-酸氨基muramoyl-pentapeptide转位酶) 是一种可转位酶.有选择性的MraY抑制剂尼卡米辛是一种尼卡米辛.虚拟选是一个虚拟的选.hGPT (GlcNAc-1-P-转移酶) 的使用情况

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