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来自神经的生物活性化合物的分离和综合性表征:单晶X射线衍射,抗氧化剂,蛋白质结合和化学传感研究

Uzma¹, Mehtab Parveen¹, Sabiha Fatima²

¹Department of Chemistry, Aligarh Muslim University Aligarh-202002 India.

|October 20, 2025

概括

神经产生的 bergenin (Gn-01),一种具有强大的抗氧化剂和人血清白蛋白 (HSA) 结合能力的化合物. 这项研究详细介绍了其晶体结构和作为双功能治疗剂和Cu2+化学传感器的潜力.

科学领域:

植物化学和药物化学医学化学
结构生物学和化学晶体学
生物物理化学和分子识别

背景情况:

神经因其植物化学成分和潜在的治疗应用而受到探索.
生物活性化合物的分离和表征对于理解它们的药理作用至关重要.

研究的目的:

隔离和结构阐明生物活性化合物从神经树叶.
为了研究抗氧化剂,人血清白蛋白 (HSA) 结合,和金属传感性质的分离化合物.
确定神经及其成分的化学分类学和药理学意义.

主要方法:

使用染色学技术进行植物化学隔离.
通过UV-Vis,FTIR,NMR,MS和单晶X射线衍射进行结构性表征.
生物物理分析包括抗氧化活性 (IC50),HSA结合 (斯特恩-沃尔默,结合常量),分子对接和Cu2+化学传感 (光谱学).

主要成果:

三种化合物 (Gn-01,Gn-02,Gn-03) 被分离出来;Gn-01 (bergenin) 首次从这个植物中报告.
单晶X射线衍射证实了bergenin的结构 (正方体空间组P212121),Hirshfeld表面分析显示了稳定OH/HO相互作用.
贝尔根因表现出强大的抗氧化活性 (IC50 = 23.438 μg mL−1),非间接的HSA结合 (Kb = 3.16 × 104 M−1) 和选择性的Cu2+化学传感 (1:1复合体,Kb = 1.74 × 104 M−1,LOD ≈ 0.221 μM).

结论:

神经是一种宝贵的 bergenin 的来源,这是一个具有显著治疗潜力的多功能分子.
贝尔根因已建立的晶体结构,抗氧化能力,HSA结合亲和力和Cu2+传感能力突出了其双功能性质.
这些发现支持神经的化学分类学和药理学重要性,并要求进一步调查Bergenin的治疗应用.

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