{
  "id": 18107845,
  "title": "Computational Analysis of Antioxidant Effects on Stress Response Mechanisms in Candida albicans",
  "url": "https://urgent.news/2026/11/04/computational-analysis-of-antioxidant-effects-on-stress-response",
  "topic": "science",
  "section": "Science",
  "published": "2026-11-04T00:00:00.000Z",
  "source": {
    "name": "bioRxiv",
    "slug": "biorxiv",
    "url": "https://www.biorxiv.org/content/10.64898/2026.10.31.762764v1?rss=1"
  },
  "original_language": "en",
  "account": "Researchers employed a computational analysis to investigate the antioxidant effects on stress response mechanisms within the eukaryotic model, Candida albicans. The study focused on NAD dependent deacetylases Sir2 and SIRT3, exploring their gene expression regulation under sublethal hydrogen peroxide treatment and their association with stress adaptation.\n\nNatural compounds known for their antioxidant properties were docked against the structures of Sir2 and SIRT3, yielding binding free energy values ranging from -5.0 to -11 kcal/mol. Among the best candidates were pterostilbene, quercetin, and naringenin, which formed stable hydrophobic interactions and hydrogen bonds within the catalytic and NAD binding pockets, as confirmed through visualization.\n\nThe ligands were subjected to ADME profiling, which revealed that most of them complied with the Lipinski rule of five, indicating excellent gastrointestinal absorption. Additionally, PASS (Prediction of Activity Spectra for Substances) and SOM (Sites of Metabolism) predictions suggested potential antioxidant, anti-aging properties, toxicity profiles, as well as key metabolic hotspots.\n\nThis integrated in-silico approach identified naringenin and quercetin as promising modulators of Sir2/SIRT3 mediated metabolic pathways in Candida albicans. Consequently, the study proposes further validation of these findings using in-vitro and in-vivo methods.",
  "summary": "Candida albicans was used as a eukaryotic model to study aging and oxidative stress response pathways focused on NAD dependent deacetylases, Sir2 and SIRT3. A significant gene expression regulation of both Sir2 and SIRT3 was observed under sublethal hydrogen peroxide treatment towards their association with stress adaptation. Natural ligands known for antioxidant properties were docked against…",
  "key_points": [],
  "editors_take": null,
  "illustration": null,
  "coverage": {
    "outlets": 1,
    "also_reported_by": []
  },
  "ai_generated": true,
  "disclaimer": "Summaries, key points and the editor’s take are written by software from other outlets’ reporting and may contain errors — always check the linked original."
}