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Interactions between polysialic acid and dopamine-lead compounds as revealed by biochemical and in silico docking simulation analyses
Glycoconjugate Journal ( IF 3 ) Pub Date : 2023-06-01 , DOI: 10.1007/s10719-023-10119-6
Kaito Hayakawa 1, 2 , Masaya Hane 1, 2, 3 , Hiroki Hamagami 4 , Miki Imai 4 , Hiroshi Tanaka 4 , Ken Kitajima 1, 2, 3 , Chihiro Sato 1, 2, 3
Affiliation  

Polysialic acid is an important glyco-epitope in vertebrate brains, while altered expressions of polySia and biosynthetic enzyme have been reported in brain diseases such as schizophrenia and depression. Recently, the binding between polySia and dopamine and the involvement of this in Akt signaling has been demonstrated. However, the molecular mechanism underlying the binding of polySia and dopamine remains unknown. Therefore, here, we demonstrated the interaction between dopamine and polySia using frontal affinity chromatography alongside docking simulations. In addition, we prepared dopamine-lead compounds to understand the detailed molecular basis of polySia binding by frontal affinity chromatography, enzyme-linked immunosorbent assay, and docking simulations.



中文翻译:

通过生化和计算机对接模拟分析揭示聚唾液酸和多巴胺先导化合物之间的相互作用

聚唾液酸是脊椎动物大脑中重要的糖表位,而多聚唾液酸和生物合成酶的表达改变已被报道在精神分裂症和抑郁症等脑部疾病中。最近,polySia 和多巴胺之间的结合及其在 Akt 信号传导中的参与已得到证实。然而,polySia 和多巴胺结合的分子机制仍然未知。因此,在这里,我们使用额叶亲和层析和对接模拟演示了多巴胺和 PolySia 之间的相互作用。此外,我们还制备了多巴胺先导化合物,通过额叶亲和层析、酶联免疫吸附测定和对接模拟来了解 PolySia 结合的详细分子基础。

更新日期:2023-06-01
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