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<p>Growing interest in medicinal plants has highlighted the need to examine lesser-known species. In this context, the work offers an in-depth analysis of the ethyl acetate extract (EtAc) obtained from the aerial portions of <i>Salvia chudaei</i>, emphasizing its phytochemical composition and biological potential. HPLC–PDA analysis identified eight phenolic compounds, including five phenolic acids (chlorogenic, ferulic, caffeic, gallic, and chicoric acids) and three flavonoids (naringenin, quercetin, and apigenin-7-O-glucoside). The EtAc exhibited high total phenolic (20.32 ± 1.03 mg GAE/g) and flavonoid (20.40 ± 0.12 mg RE/g) contents, consistent with strong antioxidant activity, as evidenced by a low DPPH IC<sub>50</sub> value (6.4 ± 0.10 µg/mL), comparable to ascorbic acid, and a high total antioxidant capacity measured by the phosphomolybdenum assay (2.42 ± 0.09 mg AAE/g extract).Additionally, the EtAc showed notable insecticidal activity against <i>Parlatoria blanchardi</i> (LD<sub>50</sub> = 0.24 ± 0.003 mg/mL) and moderate inhibitory effects on α-amylase (αA) (IC<sub>50</sub> = 0.92 ± 0.15 mg/mL) and acetylcholinesterase (AChE) (IC<sub>50</sub> = 1.44 ± 0.09 mg/mL),as defined by IC<sub>50</sub> values when compared with standard inhibitors. Molecular docking simulations revealed that chicoric acid, naringenin, and quercetin formed stable complexes within the active sites of αA and AChE, stabilized by hydrogen bonding and hydrophobic interactions. Quercetin showed the strongest affinity toward both enzymes. Collectively, the results demonstrate that <i>S. chudaei</i> is a promising natural source of multifunctional bioactive polyphenols with antioxidant, neuroprotective, antidiabetic, and insecticidal properties, supporting its potential in pharmaceutical and agricultural applications.</p> Graphical Abstract <p></p>

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Comprehensive Characterization of Polyphenols from Salvia chudaei: HPLC–PDA Profiling, in vitro Biological Activities, and in silico Enzyme Interactions

  • 期刊论文

  • 发表日期：

    2026年4月17日

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  • Chahrazad Nemer,
  • Roukia Hammoudi,
  • Amal Bendahou,
  • Chawki Bensouici,
  • Duygu misirli,
  • Mahfuz Elmastas,
  • Mahfoud Hadj Mahhamed,
  • Abir Benaissa,
  • Abderrhmane Bouafia,
  • Salah Eddine Laouini

摘要

Growing interest in medicinal plants has highlighted the need to examine lesser-known species. In this context, the work offers an in-depth analysis of the ethyl acetate extract (EtAc) obtained from the aerial portions of Salvia chudaei, emphasizing its phytochemical composition and biological potential. HPLC–PDA analysis identified eight phenolic compounds, including five phenolic acids (chlorogenic, ferulic, caffeic, gallic, and chicoric acids) and three flavonoids (naringenin, quercetin, and apigenin-7-O-glucoside). The EtAc exhibited high total phenolic (20.32 ± 1.03 mg GAE/g) and flavonoid (20.40 ± 0.12 mg RE/g) contents, consistent with strong antioxidant activity, as evidenced by a low DPPH IC50 value (6.4 ± 0.10 µg/mL), comparable to ascorbic acid, and a high total antioxidant capacity measured by the phosphomolybdenum assay (2.42 ± 0.09 mg AAE/g extract).Additionally, the EtAc showed notable insecticidal activity against Parlatoria blanchardi (LD50 = 0.24 ± 0.003 mg/mL) and moderate inhibitory effects on α-amylase (αA) (IC50 = 0.92 ± 0.15 mg/mL) and acetylcholinesterase (AChE) (IC50 = 1.44 ± 0.09 mg/mL),as defined by IC50 values when compared with standard inhibitors. Molecular docking simulations revealed that chicoric acid, naringenin, and quercetin formed stable complexes within the active sites of αA and AChE, stabilized by hydrogen bonding and hydrophobic interactions. Quercetin showed the strongest affinity toward both enzymes. Collectively, the results demonstrate that S. chudaei is a promising natural source of multifunctional bioactive polyphenols with antioxidant, neuroprotective, antidiabetic, and insecticidal properties, supporting its potential in pharmaceutical and agricultural applications.

Graphical Abstract