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BMC veterinary research2023; 19(1); 27; doi: 10.1186/s12917-023-03584-6

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

Abstract: 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. Conclusions: 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.
Publication Date: 2023-01-30 PubMed ID: 36717851PubMed Central: PMC9887863DOI: 10.1186/s12917-023-03584-6Google Scholar: Lookup
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  • Journal Article

Summary

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The research investigates the effects of ergothioneine, a naturally occurring amino acid, on heat shock protein-70 (HSP-70) in Arabian stallions during endurance exercise. It also explores whether ergothioneine plays a role in managing exercise-induced oxidative stress, concluding that it may be beneficial to horses engaged in endurance sports.

Research Design and Methodology

  • The study was conducted on a total of 18 clinically healthy Arabian stallions aged on average 6.7 years and weighing around 412 kilograms.
  • The stallions were divided into two groups: In the first group (ERGX), each horse was given 0.02 mg/kg of ergothioneine orally once a day for four weeks, whereas the second group (ERGN) did not receive ergothioneine.
  • The research aimed to ascertain the effects of ergothioneine on heat shock protein-70 (HSP-70) levels and oxidative stress markers before and after an endurance exercise of 30 kilometers.
  • Data collected comprised levels of certain antioxidant enzymes (superoxide dismutase, catalase, and glutathione peroxidase) and markers of oxidative stress including malondialdehyde and HSP-70.
  • Molecular docking, a method for predicting the preferred orientation of one molecule to a second when bound to each other, was implemented to explore the interaction between ergothioneine and HSP-70 using sulfogalactosylceramide and sulfogalactoglycerolipid as standards.

Results of the Study

  • The ERGX group (given ergothioneine) demonstrated higher concentrations of antioxidant enzymes and HSP-70 compared to the ERGN group (without ergothioneine).
  • Conversely, the ERGX group indicated a lower level of malondialdehyde, a marker of oxidative stress, showing a possible advantageous impact of ergothioneine on reducing oxidative stress.
  • The molecular docking analysis identified common amino acids at the interaction site between ergothioneine and HSP-70, suggesting that ergothioneine may modulate the synthesis of HSP-70.

Conclusions and Implications

  • The findings suggest that ergothioneine can help moderate the synthesis of HSP-70, playing a key role in managing oxidative stress in horses following endurance exercise.
  • Thus, it could be concluded that ergothioneine may provide physiological benefits to horses participating in endurance sports and could potentially be used as a supplement to improve their performance.

Cite This Article

APA
Adah AS, Ayo JO, Adah DA, Nwonuma CO, Lawal TA. (2023). Molecular docking and experimental validation of the effect of ergothioneine on heat shock protein-70 following endurance exercise by Arabian stallions. BMC Vet Res, 19(1), 27. https://doi.org/10.1186/s12917-023-03584-6

Publication

ISSN: 1746-6148
NlmUniqueID: 101249759
Country: England
Language: English
Volume: 19
Issue: 1
Pages: 27
PII: 27

Researcher Affiliations

Adah, Adakole Sylvanus
  • Department of Veterinary Physiology and Biochemistry, University of Ilorin, Ilorin, Nigeria. adakole.as@unilorin.edu.ng.
Ayo, Joseph Olusegun
  • Department of Veterinary Physiology, Ahmadu Bello University, Zaria, Nigeria.
Adah, Deborah Arimie
  • Department of Veterinary Medicine, University of Ilorin, Ilorin, Nigeria.
Nwonuma, Charles Obiora
  • Department of Biochemistry, Landmark University, Omuaran, Nigeria.
Lawal, Teslim Alabi
  • Computational Biophysical Laboratory, Department of Pure and Applied Chemistry, Ladoke Akintola University, Ogbomoso, Nigeria.

MeSH Terms

  • Animals
  • Male
  • Antioxidants / metabolism
  • Ergothioneine / pharmacology
  • Horses
  • HSP70 Heat-Shock Proteins / metabolism
  • Malondialdehyde
  • Molecular Docking Simulation
  • Oxidative Stress
  • Superoxide Dismutase / metabolism

Conflict of Interest Statement

None.

References

This article includes 38 references

Citations

This article has been cited 3 times.
  1. Jędrejko M, Kała K, Muszyńska B. Anserine, Balenine, and Ergothioneine: Impact of Histidine-Containing Compounds on Exercise Performance-A Narrative Review. Nutrients 2025 Feb 27;17(5).
    doi: 10.3390/nu17050828pubmed: 40077698google scholar: lookup
  2. Giercuszkiewicz-Hecold B, Kulka M, Czopowicz M, Wilczak J, Szarska E, Strzelec K, Grzeczka A, Graczyk S, Hryniszyn A, Mularczyk M, Marycz K, Cywińska A. The effect of long term astaxanthin supplementation on the antioxidant status of racing Arabian horses - preliminary study. Sci Rep 2024 Nov 14;14(1):27991.
    doi: 10.1038/s41598-024-77732-9pubmed: 39543175google scholar: lookup
  3. Aguiar C, Camps I. Molecular Docking in Drug Discovery: Techniques, Applications, and Advancements. Curr Med Chem 2025;32(28):5924-5938.