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针对DLBCL的MALT1抑制剂的计算优化:一个QSAR引导的分子对接和动力学研究

Josiah Joseph Isah1,2, Adamu Uzairu2, Sani Uba2

  • 1Department of Chemistry, Faculty of Sciences, Federal University of Health Sciences, Otukpo, Nigeria.

In silico pharmacology
|December 1, 2025
PubMed
概括

计算方法确定14f化合物是扩散大B细胞淋巴瘤的有前途的MALT1抑制剂. 这种新型的小分子显示出强大的结合亲和力和有利的药理动力学特性,用于潜在的治疗开发.

关键词:
扩散大的B细胞淋巴瘤.马尔特1抑制剂的使用分子对接是分子对接.分子动力学分子动力学在QSAR建模中使用QSAR模型.

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