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<p>The methanol extract from <i>Zingiber zerumbet</i> (L.) Sm., Zingiberaceae, collected in An Giang province, Vietnam, was partitioned into hexane, ethyl acetate, and a water layer. Seven compounds were identified, including 4-hydroxybenzoic acid, protocatechuic acid, vanillic acid, naringenin, aromadendrin, isokaempferide, and afzelin, guided by anti-inflammatory activity. Their chemical structures were elucidated by interpreting nuclear NMR spectral data and comparing them with existing literature. The anti-inflammatory potential of isolated compounds was assessed by measuring their ability to inhibit NO production. Notably, protocatechuic acid exhibited significant NO production inhibition with an IC<sub>50</sub> value of 15.8&#xa0;µM, comparable to the reference compound <i>N</i>(G)-monomethyl<span> l</span>-arginine (<span>l</span>-NMMA, 21.6&#xa0;µM). Compounds vanillic acid, aromadendrin, and isokaempferide also showed promising inhibitory activities with IC<sub>50</sub> values of 32.7, 28.9, and 25.2&#xa0;μM, respectively. The study also investigates the molecular docking of vanillic acid, aromadendrin, and isokaempferide on specific protein targets to evaluate their potential as therapeutic agents. These findings suggest that vanillic acid, aromadendrin, and isokaempferide from <i>Z. zerumbet</i> possess considerable potential as an inflammatory inhibitor and warrant further investigation and development.</p> Graphical Abstract <p></p>

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Inhibitors of Nitric Oxide Production from the Whole Plant of Zingiber zerumbet: An In Vitro and In Silico Study

  • 期刊论文

  • 发表日期：

    2025年7月1日

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  • Truong Nhan Ngu,
  • Thi Bich Hanh Dam,
  • Manh Hung Tran,
  • Phi Hung Nguyen,
  • Luong Xuan Ngo,
  • Thuy Mi Pham Lam,
  • Viet Tuan Trinh,
  • Phuong Dai Nguyen Nguyen,
  • Le Minh Hoang,
  • Dao Cuong To

摘要

The methanol extract from Zingiber zerumbet (L.) Sm., Zingiberaceae, collected in An Giang province, Vietnam, was partitioned into hexane, ethyl acetate, and a water layer. Seven compounds were identified, including 4-hydroxybenzoic acid, protocatechuic acid, vanillic acid, naringenin, aromadendrin, isokaempferide, and afzelin, guided by anti-inflammatory activity. Their chemical structures were elucidated by interpreting nuclear NMR spectral data and comparing them with existing literature. The anti-inflammatory potential of isolated compounds was assessed by measuring their ability to inhibit NO production. Notably, protocatechuic acid exhibited significant NO production inhibition with an IC50 value of 15.8 µM, comparable to the reference compound N(G)-monomethyl l-arginine (l-NMMA, 21.6 µM). Compounds vanillic acid, aromadendrin, and isokaempferide also showed promising inhibitory activities with IC50 values of 32.7, 28.9, and 25.2 μM, respectively. The study also investigates the molecular docking of vanillic acid, aromadendrin, and isokaempferide on specific protein targets to evaluate their potential as therapeutic agents. These findings suggest that vanillic acid, aromadendrin, and isokaempferide from Z. zerumbet possess considerable potential as an inflammatory inhibitor and warrant further investigation and development.

Graphical Abstract