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Updated: Jan 29, 2026

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
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通过3D-QSAR,对接,ADMET和分子动力学开发基于奎纳的新型EGFR抑制剂

Mohamed Moussaoui1,2, Soukayna Baammi2, Mouna Baassi1

  • 1Laboratory of Physical Chemistry of Applied Materials (LCPMA), Faculty of Sciences Ben M'Sick, Hassan II University of Casablanca, Casablanca 20670, Morocco.

International journal of molecular sciences
|January 28, 2026
PubMed
概括

这项研究使用3D-QSAR开发了新的quinazoline衍生物作为潜在的表皮生长因子受体激酶 (EGFR) 抑制剂. 化合物Pred65显示出有前途的抗癌潜力,具有高亲和力和稳定性.

关键词:
在3D-QSAR中使用3D-QSAR接收人 接收人国际货币及金融事务委员会 (CoMFAA) 在在COMSIAIA中,我们可以看到.作为EGFR抑制剂的使用.这是一种抗癌药物.肺癌是一种肺癌.分子对接的分子对接.分子动力学分子动力学这是一种quinazolineine.

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