Systematic Understanding of Anti-Aging Effect of Coenzyme Q10 on Oocyte Through a Network Pharmacology Approach
Liuqing Yang1, Heng Wang1,2, SuJie Song1,2
1Department of Traditional Chinese Medicine (TCM) Gynecology, Hangzhou Hospital of Traditional Chinese Medicine Affiliated to Zhejiang Chinese Medical University, Hangzhou, China.
Background:
Maternal oocyte aging is strongly contributing to age-related decline in female fertility. Coenzyme Q10 (CoQ10) exerts positive effects in improving aging-related deterioration of oocyte quality, but the exact mechanism is unclear.
Objective:
To reveal the system-level mechanism of CoQ10's anti-aging effect on oocytes based on network pharmacology.
Methods:
This study adopted a systems network pharmacology approach, including target identification, data integration, network and module construction, bioinformatics analysis, molecular docking, and molecular dynamics simulation.
Result:
A total of 27 potential therapeutic targets were screened out. Seven hub targets (PPARA, CAT, MAPK14, SQSTM1, HMOX1, GRB2, and GSR) were identified. Functional and pathway enrichment analysis indicated that these 27 putative targets exerted therapeutic effects on oocyte aging by regulating signaling pathways (e.g., PPAR, TNF, apoptosis, necroptosisn, prolactin, and MAPK signaling pathway), and are involved oxidation-reduction process, mitochondrion, enzyme binding, reactive oxygen species metabolic process, ATP binding, among others. In addition, five densely linked functional modules revealed the potential mechanisms of CoQ10 in improving aging-related deterioration of oocyte quality are closely related to antioxidant, mitochondrial function enhancement, autophagy, anti-apoptosis, and immune and endocrine system regulation. The molecular docking study reveals that seven hub targets have a good binding affinity towards CoQ10, and molecular dynamics simulation confirms the stability of the interaction between the hub targets and the CoQ10 ligand.
Conclusion:
This network pharmacology study revealed the multiple mechanisms involved in the anti-aging effect of CoQ10 on oocytes. The molecular docking and molecular dynamics simulation provide evidence that CoQ10 may act on these hub targets to fight against oocytes aging.
Insights
Coenzyme Q10 (CoQ10) combats oocyte aging through multiple pathways, including antioxidant and mitochondrial support. Network pharmacology and molecular simulations confirm CoQ10
Area of Science:
- Reproductive biology
- Pharmacology
- Bioinformatics
Background:
- Maternal oocyte aging significantly contributes to age-related infertility in females.
- The precise mechanisms by which Coenzyme Q10 (CoQ10) improves oocyte quality during aging remain unclear.
Purpose of the Study:
- To elucidate the system-level mechanisms underlying CoQ10's anti-aging effects on oocytes using network pharmacology.
Main Methods:
- A systems network pharmacology approach was employed, encompassing target identification, data integration, network construction, bioinformatics analysis, molecular docking, and molecular dynamics simulation.
Main Results:
- 27 potential therapeutic targets were identified, with seven key targets (PPARA, CAT, MAPK14, SQSTM1, HMOX1, GRB2, GSR) highlighted.
- Enrichment analysis revealed that these targets regulate critical pathways (e.g., PPAR, TNF, apoptosis, MAPK) and are involved in processes like oxidation-reduction and mitochondrial function.
- Five functional modules indicated CoQ10's mechanisms involve antioxidant activity, enhanced mitochondrial function, autophagy, anti-apoptosis, and immune/endocrine regulation.
- Molecular docking and dynamics simulations confirmed favorable binding affinity and stable interactions between CoQ10 and the identified hub targets.
Conclusions:
- This study reveals the multifaceted mechanisms of CoQ10's anti-aging action on oocytes.
- Molecular simulations provide evidence supporting CoQ10's potential to target key proteins and combat oocyte aging.
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