Assessment of the binding mechanism of ergothioneine to human serum albumin: Multi-spectroscopy, molecular docking and molecular dynamic simulation.

Xiaohui Meng, Zhangchen Xia, Junwen Cheng, Yanbin Wang, Xueyong Ren, Liang He, Dan Liu

Key Laboratory of State Forest Food Resources Utilization and Quality Control, Zhejiang Academy of Forestry, Hangzhou 310023, China; Zhejiang Provincial Key Laboratory of Resources Protection and Innovation of Traditional Chinese Medicine, Zhejiang A&F University, Hangzhou 311300, China.Key Laboratory of State Forest Food Resources Utilization and Quality Control, Zhejiang Academy of Forestry, Hangzhou 310023, China; Zhejiang Provincial Key Laboratory of Resources Protection and Innovation of Traditional Chinese Medicine, Zhejiang A&F University, Hangzhou 311300, China. · pubmed

Paper

Abstract

Ergothioneine (EGT) has attracted great attention due to its extremely potent antioxidant properties, universally acknowledged as 'longevity vitamin'. In order to comprehensive understanding of its pharmacodynamics and pharmacokinetics, the binding mechanism of EGT with human serum albumin (HSA) was clarified by cutting-edged multi-spectroscopic approaches and in silico molecular docking coupled with molecular dynamic simulation. Our fluorescence quenching results revealed that the binding of EGT to HSA was in a static quenching mode validated by the descending Stern-Volmer constant (K

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Research summary

The paper investigates the binding mechanism of ergothioneine, which is posited as a 'longevity vitamin' due to its antioxidant properties. While it touches on a compound associated with longevity, the focus is primarily on the binding interactions with human serum albumin rather than directly addressing mechanisms of aging or lifespan extension. The findings may contribute to understanding the pharmacodynamics of ergothioneine, but they do not significantly advance the field of longevity research or address root causes of aging. Thus, the impact is rated as a solid but limited contribution.

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