Mechanistic Elucidation of green seaweed compounds in orthodontic relapse management via RANKL/TNF-α-mediated ROS/Keap1/Nrf2 signaling: In silico and Ex Vivo studies
Bibliographic record
Abstract
Orthodontic relapse, the return to a pre-treatment position after orthodontic correction, is driven by the RANKL/TNF-α-mediated ROS/Keap1/Nrf2 signaling axis. This mechanism triggers aseptic inflammation and oxidative stress, influencing bone resorption and formation. Antioxidants can mitigate oxidative stress, potentially improving post-orthodontic outcomes. This study explores the efficacy of antioxidant compounds derived from green seaweed/algae in managing orthodontic relapse. Green seaweed/algae extracts were prepared via sonication, and bioactive compounds were identified using ultra-performance liquid chromatography-electrospray ionization-tandem mass spectrometry (UPLC-ESI-MS/MS) analysis. Compounds underwent bioactivity prediction, toxicity assessment, and drug-likeness evaluation, revealing significant therapeutic potential. Network pharmacology and molecular docking identified key proteins associated with orthodontic relapse, including IL-1β, STAT3, ESR1, MAPK1, JAK2, and HMOX1. Molecular docking simulations indicated favorable binding energies for green seaweed compounds, particularly the alkaloids adenosine (ΔG −6.9 to −7.3 kcal/mol) and lycopodine (ΔG −6.3 to −8.5 kcal/mol), against targeted proteins, matching or outperforming standard drugs such as s-ibuprofen (ΔG −6.7 kcal/mol). In vitro assays confirmed the antioxidant activity of these compounds, with EC 50 dose of 52.2–54.2 μg/mL for ABTS radical scavenging capacities. Protein expression analysis in tibial-femoral bone marrow cells further demonstrated the potential of green seaweed/algae compounds to suppress osteoclastogenesis by modulating the RANKL/TNF-α-mediated ROS/Keap1/Nrf2 pathway. This research highlights the promise of green seaweed-derived antioxidants in reducing oxidative stress and managing orthodontic relapse, providing a foundation for future therapeutic developments. • Green seaweed potential in reducing oxidative stress and preventing orthodontic relapse. • Green seaweed suppresses osteoclastogenesis by modulating the RANKL/TNF-α-mediated ROS/Keap1/Nrf2 pathway. • Pharmacologists and clinicians must collaborate to bring promising food functional findings from the bench to the bedside.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.001 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".