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分子对接和实验验证:耐力运动后麦角硫因对阿拉伯种马热休克蛋白 70 的影响。

Molecular docking and experimental validation of the effect of ergothioneine on heat shock protein-70 following endurance exercise by Arabian stallions.

机构信息

Department of Veterinary Physiology and Biochemistry, University of Ilorin, Ilorin, Nigeria.

Department of Veterinary Physiology, Ahmadu Bello University, Zaria, Nigeria.

出版信息

BMC Vet Res. 2023 Jan 30;19(1):27. doi: 10.1186/s12917-023-03584-6.

Abstract

BACKGROUND

Exercise-induced oxidative stress is a challenge in equine sports. This study aims at determining the effects of ergothioneine on heat shock protein-70 (HSP-70) following the stress of an endurance exercise of 30 km by Arabian stallions. Molecular docking was also done to investigate the interaction between the ligand ergothioneine and heat shock protein-70 using sulfogalactosylceramide and sulfogalactoglycerolipid as standards. The study involved a total of 18 clinically healthy stallions, with an average age of 6.7 ± 2.4 years and an average weight of 411.54 ± 12.46 kg. Only clinically healthy stallions were selected as subjects. The stallions were divided into two groups of nine stallions each. Group I (ERGX) was administered ergothioneine at a dose of 0.02 mg/kg once daily orally for four weeks while group II (ERGN) was not administered ergothioneine. The activities of the antioxidant enzymes superoxide dismutase, catalase, and glutathione peroxidase were determined in the two groups before and post-exercise. The concentrations of malondialdehyde and HSP-70 were also determined.

RESULTS

The results obtained showed that the activities of the antioxidant enzymes and concentration of HSP-70 were higher (P < 0.05) in the ERGX group compared to the ERGN group. The concentration of malondialdehyde was however lower in the ERGX group. Following molecular docking, ergothioneine and the selected standards have common amino acids at the site of interaction with the target protein (HSP-70) suggesting that ergothioneine may have a modulatory effect on the synthesis of HSP-70.

CONCLUSION

The results obtained indicated that ergothioneine modulated the synthesis of HSP-70 and the biomarkers of oxidative stress. It was therefore concluded that ergothioneine may be beneficial to horses subjected to endurance exercise.

摘要

背景

运动引起的氧化应激是马体育中的一个挑战。本研究旨在确定麦硫因(ergothioneine)对阿拉伯种公马 30 公里耐力运动应激后热休克蛋白-70(HSP-70)的影响。还进行了分子对接,以使用半乳糖神经酰胺硫酸盐和半乳糖甘油二脂作为标准,研究配体麦硫因与热休克蛋白-70 之间的相互作用。该研究共涉及 18 匹临床健康的种公马,平均年龄为 6.7±2.4 岁,平均体重为 411.54±12.46 公斤。仅选择临床健康的种公马作为研究对象。种马被分为两组,每组 9 匹。第 I 组(ERGX)每天口服 0.02mg/kg 麦硫因,连续 4 周,第 II 组(ERGN)未给予麦硫因。两组在运动前后测定抗氧化酶超氧化物歧化酶、过氧化氢酶和谷胱甘肽过氧化物酶的活性,同时测定丙二醛和 HSP-70 的浓度。

结果

结果表明,与 ERGN 组相比,ERGX 组的抗氧化酶活性和 HSP-70 浓度更高(P<0.05)。然而,ERGX 组丙二醛浓度较低。分子对接后,麦硫因和所选标准在与靶蛋白(HSP-70)相互作用的部位具有共同的氨基酸,这表明麦硫因可能对 HSP-70 的合成具有调节作用。

结论

研究结果表明,麦硫因调节 HSP-70 和氧化应激生物标志物的合成。因此,麦硫因可能对进行耐力运动的马有益。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd27/9887863/1c47a336a77c/12917_2023_3584_Fig1_HTML.jpg

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