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Updated: Jan 29, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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计算-实验整合识别了来自Nardostachys jatamansi的强有力的碳水化合物解酶抑制剂:分子对接,动态和药物动力学预测

Muhammad Javid Iqbal1,2, Iqra Malik3, Gonzalo Bernal4,5

  • 1Doctoral Program in Sciences, Specialization in Applied Cellular and Molecular Biology, Universidad de la Frontera, Temuco, Chile.

Frontiers in pharmacology
|January 28, 2026
PubMed
概括

与acarbose相比,Nardostachys jatamansi提取物对碳水化合物解酶的抑制能力更强. 计算分析发现维罗林和纳尔多斯塔奇辛是有前途的抗糖尿病药物候选药物.

关键词:
在ADMET上建立个人资料.纳尔多斯塔奇斯 (Nardostachys jatamansi) 是一种的动物.抗糖尿病药物 抗糖尿病药物密度函数理论密度函数理论酶抑制抑制酶的抑制分子对接的分子对接.分子动力学模拟模拟自然产品是自然产品的产品.

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