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Updated: Jan 13, 2026

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches
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解读突变对Pf和DHPS活性部位和硫素结合的影响:从分子动力学模拟中获得结构洞察力

Emilie Guémas1,2,3, Sandie Ménard2, Nicolas Jeanne1,2

  • 1Laboratoire d'Analyse et d'Architecture des Systèmes (LAAS)-CNRS, Université de Toulouse, CNRS, 31031 Toulouse, France.

Molecules (Basel, Switzerland)
|October 29, 2025
PubMed
概括

在Plasmodium falciparum二甲酸合成酶 (PfDHPS) 的抗疟疾耐药性与影响药物结合的突变有关. 分子动力学揭示了硫素结合的改变,并突出了D2循环.

关键词:
原菌 (Plasmodium falciparum) 是一种有毒的病毒.这就是DHPS.药物耐药性 耐药性 药物耐药性分子动态模拟的分子动态模拟.硫二氧化的使用方法

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Spontaneous mutations arise infrequently during DNA replication due to errors in the process. A key factor behind these errors is tautomeric shifts in nitrogenous bases, where bases transition from keto to enol forms or amino to imino forms. This shift can alter base-pairing rules, leading to mutations. Additionally, reactive oxygen species (ROS) arising from aerobic metabolism can damage DNA, resulting in depurination (loss of a purine base) or depyrimidination (loss of a pyrimidine base).
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