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Updated: Jan 15, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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对 schiff 基化合物的结构,非线性光学和分子对接研究作为 AChE,BChE 和碳酸无水酶的多目标抑制剂

Oumria Kourat1,2, Nadia Benhalima2, Al-Anood M Al-Dies3

  • 1Department of Material Sciences, Faculty of Sciences and Technology, University of Saida, Saida, Algeria.

Scientific reports
|October 6, 2025
PubMed
概括

两种新的希夫基化合物显示出作为神经退行性疾病的多目标抑制剂的潜力,并具有非线性光学特性. 这些化合物表现出有希望的类似药物的特性和对关键酶的高抑制活性.

关键词:
密度函数理论 (DFT) 是一种密度函数理论.酶抑制可以抑制酶.分子对接是分子对接.非线性光学 (NLO) 特性这里是船只基地.

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