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<p>Local plant ecotypes represent valuable genetic resources that support biodiversity conservation, sustainable agriculture, and the development of high-value functional foods and nutraceuticals. In this context, Moroccan <i>Beldi Sweet</i> and <i>Beldi Bitter</i> almonds were investigated for their oil composition and bioactivity. Oils obtained by supercritical CO₂ extraction were analyzed for their phenolic profiles and biological potential, emphasizing molecular mechanisms underlying their effects. HPLC–DAD analysis revealed that <i>Beldi Bitter</i> oil was dominated by flavan-3-ols, particularly (+)-catechin (79.28 ± 2.5%) and epicatechin (8.67 ± 0.3%), whereas <i>Beldi Sweet</i> oil was enriched in phenolic acids, notably vanillic acid (63.38 ± 2.10%) and chlorogenic acid (3.74 ± 0.15%), with a total phenolic content of 12.72 ± 0.02&#xa0;mg GAE/100&#xa0;g DE. Molecular docking indicated strong binding affinities of catechin and vanillic acid toward cyclooxygenase-2 (COX-2), the TLR6 TIR domain, and α-amylase, suggesting their potential to modulate inflammatory and glycemic pathways. In vitro assays confirmed these findings, showing superior anti-inflammatory activity for <i>Beldi Bitter</i> oil (IC<sub>90</sub> = 0.131 ± 0.006&#xa0;mg/mL; IC<sub>50</sub> = 0.0621 ± 0.010&#xa0;mg/mL) and stronger α-amylase inhibition for <i>Beldi Sweet</i> oil (IC<sub>90</sub> = 1.440 ± 0.016&#xa0;mg/mL; IC<sub>50</sub> = 0.459 ± 0.02&#xa0;mg/mL). Complementary in silico ADMET predictions supported favorable pharmacokinetic behavior and safety profiles. These results demonstrate that the distinct phenolic compositions of <i>Beldi</i> almond oils underpin their complementary bioactivities and highlight the broader importance of valorizing local ecotypes for sustainable agro-industrial applications, functional foods, and nutraceutical development.</p>

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Flavan-3-ol- and phenolic acid–rich Beldi sweet and bitter almond oils as natural enzyme inhibitors: Chemical profiling and in silico mechanistic insights

  • 期刊论文

  • 发表日期：

    2026年3月2日

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  • Oumayma Sayah,
  • Mohammed Roubi,
  • Ayoub Mellal,
  • Abdesselam Tahani,
  • Ali El Bachiri

摘要

Local plant ecotypes represent valuable genetic resources that support biodiversity conservation, sustainable agriculture, and the development of high-value functional foods and nutraceuticals. In this context, Moroccan Beldi Sweet and Beldi Bitter almonds were investigated for their oil composition and bioactivity. Oils obtained by supercritical CO₂ extraction were analyzed for their phenolic profiles and biological potential, emphasizing molecular mechanisms underlying their effects. HPLC–DAD analysis revealed that Beldi Bitter oil was dominated by flavan-3-ols, particularly (+)-catechin (79.28 ± 2.5%) and epicatechin (8.67 ± 0.3%), whereas Beldi Sweet oil was enriched in phenolic acids, notably vanillic acid (63.38 ± 2.10%) and chlorogenic acid (3.74 ± 0.15%), with a total phenolic content of 12.72 ± 0.02 mg GAE/100 g DE. Molecular docking indicated strong binding affinities of catechin and vanillic acid toward cyclooxygenase-2 (COX-2), the TLR6 TIR domain, and α-amylase, suggesting their potential to modulate inflammatory and glycemic pathways. In vitro assays confirmed these findings, showing superior anti-inflammatory activity for Beldi Bitter oil (IC90 = 0.131 ± 0.006 mg/mL; IC50 = 0.0621 ± 0.010 mg/mL) and stronger α-amylase inhibition for Beldi Sweet oil (IC90 = 1.440 ± 0.016 mg/mL; IC50 = 0.459 ± 0.02 mg/mL). Complementary in silico ADMET predictions supported favorable pharmacokinetic behavior and safety profiles. These results demonstrate that the distinct phenolic compositions of Beldi almond oils underpin their complementary bioactivities and highlight the broader importance of valorizing local ecotypes for sustainable agro-industrial applications, functional foods, and nutraceutical development.