数字农科院2.0

Structurally diverse phthalides from fibrous roots of Ligusticum chuanxiong Hort. and their biological activities

文献类型： 外文期刊

作者： Yu Zhu Tan;Hong Ling Yan;Yun Yun Liu;Yong Ming Yan;Li Wang;Ji Xu Qiao;Jing Wu;Yin Tian;Cheng Peng

作者机构：

关键词： Biological activities;Ligusticum chuanxiong;Phthalides;Structure elucidation;Structure-activity relationships

期刊名称： Fitoterapia

ISSN： 0367-326X

年卷期： 2024 年 175 卷

页码：

收录情况： SCIE（2024版）

摘要： Falonolide A (1) and B (2), two novel polyyne hybrid phthalides resulting from unprecedented carbon skeleton polymerized by Z-ligustilide and falcarindiol, along with six new related phthalides (3–8), were isolated from Ligusticum chuanxiong Hort. Their structures were elucidated by spectroscopic analysis, computer-assisted structure elucidation (CASE) analysis, DP4+ probability analysis and electronic circular dichroism (ECD) calculations. A plausible biosynthetic pathway for 1–8 was proposed, and the production mechanism of 2 was revealed by density functional theory (DFT) method. Compounds 4 and 6 exhibited significant vasodilatory activity with EC50 of 8.00 ± 0.86 and 6.92 ± 1.02 μM, respectively. Compound 4 also displayed significant inhibitory effect of NO production with EC50 value of 8.82 ± 0.30 μM. Based on the established compounds library, structure-activity relationship analysis of phthalides was explored to provide insights into the drug development of vasodilators and anti-flammatory

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