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<p>Bisphenol A (BPA) toxicity remains a global health concern, with exposure risks exacerbated in Africa due to limited regulatory enforcement and public awareness. Plant-derived bioactive compounds offer a cost-effective strategy to mitigate BPA toxicity. Here, we integrated biochemical, molecular, and computational analyses to identify chemoprotective constituents of the methanolic fraction of <i>Ficus exasperata Vahl</i> leaf (MFFEVL) against BPA-induced toxicity in <i>Drosophila melanogaster</i>. Among different fractions screened, MFFEVL (0–2.0&#xa0;mg/10&#xa0;g diet) showed the highest survival after 14-day exposure. Following preliminary effective dose determination, 1.0 and 2.0&#xa0;mg/10&#xa0;g diets were selected and evaluated against BPA (100 and 200&#xa0;μM)-induced toxicity in flies. MFFEVL mitigated BPA-induced impaired glutathione-S-transferase, acetylcholinesterase, monoamine oxidase activities, and levels of thiols, hydrogen peroxide, nitric oxide, malondialdehyde, protein carbonyl, cell viability, locomotor performance, and cyclin B and E expression (p &lt; 0.05). HPLC–DAD–MS analysis identified hydroxybenzoate derivatives as the predominant constituents. Scaffold-based derivatization, molecular docking and ADMET analyses revealed top hydroxybenzoate derivatives with strong binding affinity against Keap1 and IKKβ in human and <i>Drosophila</i> homologs, and with favorable pharmacokinetic and toxicity profiles. Conclusively, MFFEVL counteracts BPA toxicity via restoration of cellular homeostasis, highlighting hydroxybenzoate derivatives as promising hits with translational potential for chemoprotective drug discovery.</p>

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Hydroxybenzoate-based hits from methanolic leaf fraction of Ficus exasperata Vahl: integrative biochemical, molecular, and computational discovery against bisphenol toxicity

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年8月4日

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  • Olugbenga Eyitayo Adeyemi,
  • Camila Sant’Anna Monteiro,
  • Tatiana Emanuelli,
  • Amos Olalekan Abolaji,
  • John Chinyere Aguiyi,
  • Kiri Hashimu Jaryum,
  • Titilayo Omolara Johnson

摘要

Bisphenol A (BPA) toxicity remains a global health concern, with exposure risks exacerbated in Africa due to limited regulatory enforcement and public awareness. Plant-derived bioactive compounds offer a cost-effective strategy to mitigate BPA toxicity. Here, we integrated biochemical, molecular, and computational analyses to identify chemoprotective constituents of the methanolic fraction of Ficus exasperata Vahl leaf (MFFEVL) against BPA-induced toxicity in Drosophila melanogaster. Among different fractions screened, MFFEVL (0–2.0 mg/10 g diet) showed the highest survival after 14-day exposure. Following preliminary effective dose determination, 1.0 and 2.0 mg/10 g diets were selected and evaluated against BPA (100 and 200 μM)-induced toxicity in flies. MFFEVL mitigated BPA-induced impaired glutathione-S-transferase, acetylcholinesterase, monoamine oxidase activities, and levels of thiols, hydrogen peroxide, nitric oxide, malondialdehyde, protein carbonyl, cell viability, locomotor performance, and cyclin B and E expression (p < 0.05). HPLC–DAD–MS analysis identified hydroxybenzoate derivatives as the predominant constituents. Scaffold-based derivatization, molecular docking and ADMET analyses revealed top hydroxybenzoate derivatives with strong binding affinity against Keap1 and IKKβ in human and Drosophila homologs, and with favorable pharmacokinetic and toxicity profiles. Conclusively, MFFEVL counteracts BPA toxicity via restoration of cellular homeostasis, highlighting hydroxybenzoate derivatives as promising hits with translational potential for chemoprotective drug discovery.