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从Aerva javanica中重新利用生物分子对抗LAML中的DDX3X:计算机辅助的治疗方法

Abdulaziz Asiri¹, Abdulwahed Alrehaily², Amer Al Ali¹

¹Department of Medical Laboratory Sciences, College of Applied Medical Sciences, University of Bisha, 255, Al Nakhil, Bisha 67714, Saudi Arabia.

International journal of molecular sciences

|June 26, 2025

概括

死亡盒螺旋酶3X链接 (DDX3X) 基因与急性髓性白血病 (LAML) 有关. 这项研究使用计算方法确定了Aerva javanica的强大的DDX3X抑制剂,这表明了LAML.LAML的新治疗途径.

科学领域:

在瘤学瘤学.
计算生物学计算生物学
药理学药理学是指药理学的学科.

背景情况:

急性髓性白血病 (LAML) 是一种严重的血液癌症.
死亡盒螺旋酶3X链接 (DDX3X) 基因是LAML中潜在的,但尚未研究的标.
药用植物,如Aerva javanica,是新型治疗化合物的来源.

研究的目的:

调查DDX3X在LAML病变发生中的作用.
通过计算方法识别来自Aerva javanica的植物衍生生物分子,可以抑制DDX3X.

主要方法:

全癌症突变分析,转录基因分析,生存分析,蛋白质-蛋白质相互作用网络和主要成分分析 (PCA).
使用分子对接和ADMET概况的Aerva javanica化合物的in silico选.
使用已知DDX3X抑制剂RK-33验证对接协议.

主要成果:

DDX3X在功能上与关键的白血病产生途径有关,包括Wnt/β-catenin和MAPK信号传递.
分子对接确定了来自Aerva javanica的CIDs 15559724,5490003和74819331作为强大的DDX3X抑制剂.
与RK-33.3相比,这些已识别的化合物显示出强大的结合亲和力和有利的药理动力学和毒性概况.

结论:

DDX3X在LAML病变发生过程中发挥着重要作用,并且是一个可行的治疗点.
来自Aerva javanica的植物衍生化合物显示出作为DDX3X抑制剂用于LAML治疗的前景.
需要进一步的体外和体内验证,以确认这些已识别的化合物的治疗潜力.

关键词:

一个A. javanica的种子.接收人接收人死亡盒螺旋酶3与X结合 (DDX3X)急性髓性白血病 (LAML) 是一种疾病.分子对接的分子对接.

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