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基于疾病和目标,从Ajuga nipponensis开发AKR1B10抑制剂

Na Sun¹, Shuo Ma¹, Linxuan Jin¹

¹Food and Pharmacy College, Xuchang University, Xuchang, Henan 461000, People's Republic of China.

|November 12, 2023

概括

这项研究从Ajuga nipponensis中分离了10种化合物,揭示了新的neoclerodane diterpenoids,并确定了强大的AKR1B10抑制剂. 这些发现突出了植物的特点.

科学领域:

植物化学植物化学
药理学药理学是指药理学的学科.
网络药理学网络药理学

背景情况:

阿朱加尼波内斯 (Ajuga nipponensis) 是一种传统的药用植物.
了解其化学成分和药理活动至关重要.

研究的目的:

为了隔离和识别来自Ajuga nipponensis的化合物.
评估它们对阿尔多基托降解酶家族1成员B10 (AKR1B10) 的抑制活性.
探索这些化合物的潜在治疗应用,特别是在前列腺癌方面.

主要方法:

使用NMR,HRESIMS,UV和IR光谱学分离和阐明化合物的结构.
网络药理学分析以确定关键目标.
在体外酶抑制试验测试以确定AKR1B10的抑制活性.
分子对接以分析化合物-酶相互作用.
基因本体学 (GO) 和KEGG通路丰富分析.

主要成果:

隔离了10种化合物,其中包括一种新型的新克勒二甲 (1) 和9种已知的化合物. 从A. nipponensis中首次报告了1,4-10的化合物,9和10是新的天然产品.
化合物2,3,7和阿古古宾B显示出显著的AKR1B10抑制活性,IC50值在纳米分子范围内.
分子对接表明活性化合物和AKR1B10.0之间的相互作用.
网络药理学和途径分析表明,与前列腺癌信号通路的潜在相关性.

结论:

阿朱加尼波南斯树具有低血糖和抗瘤特性,其已识别的化合物及其AKR1B10抑制活性支持这种特性.
这项研究为进一步研究A. nipponensis作为新型AKR1B10抑制剂和潜在治疗剂的来源提供了基础,特别是对于前列腺癌.
这项研究为设计新型AKR1B10抑制剂提供了一个参考.

关键词:

AKR1B10的抑制活动.活性化合物有效化合物青木尼波尼斯 (Ajuga nipponensis) 在马基诺地区生长.一个机器人. 机器人. 马格. 马格. 马格. 马格. 马格. (东京) 在东京.疾病的目标是疾病.

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