文献类型：期刊文献

英文题名：Screening Key Compound in Ligusticum chuanxiong Hort. for Anti-Parkinson's Disease Based on an Experimental and Computational Framework

作者：Wang, Xin[1,2,3];Tan, Zhenghuai[4];Hai, Jun[2,3];Jin, Xiaojie[1];Di, Duo-Long[1,2,3];Pei, Dong[1,2,3]

第一作者：Wang, Xin;王馨;王昕;王鑫;王欣

通信作者：Jin, XJ[1];Di, DL[1];Pei, D[1];Di, DL[2];Pei, D[2];Di, DL[3];Pei, D[3]

机构：[1]Gansu Univ Chinese Med, Coll Pharm, Lanzhou, Peoples R China;[2]Chinese Acad Sci, Lanzhou Inst Chem Phys, CAS Key Lab Chem Northwestern Plant Resources, Lanzhou, Peoples R China;[3]Chinese Acad Sci, Lanzhou Inst Chem Phys, Key Lab Nat Med Gansu Prov, Lanzhou, Peoples R China;[4]Sichuan Acad Chinese Med Sci, Inst Tradit Chinese Med Pharmacol & Toxicol, Chengdu, Peoples R China

第一机构：甘肃中医药大学药学院（西北中藏药协同创新中心办公室）

通信机构：[1]corresponding author), Gansu Univ Chinese Med, Coll Pharm, Lanzhou, Peoples R China;[2]corresponding author), Chinese Acad Sci, Lanzhou Inst Chem Phys, CAS Key Lab Chem Northwestern Plant Resources, Lanzhou, Peoples R China;[3]corresponding author), Chinese Acad Sci, Lanzhou Inst Chem Phys, Key Lab Nat Med Gansu Prov, Lanzhou, Peoples R China.|[1073501e14fb35863569f]甘肃中医药大学药学院（西北中藏药协同创新中心办公室）;[10735]甘肃中医药大学;

年份：2026

卷号：23

期号：3

外文期刊名：CHEMISTRY & BIODIVERSITY

收录：;Scopus(收录号：2-s2.0-105031763546);WOS:【SCI-EXPANDED(收录号:WOS:001727192900006)】；

基金：This work was financed by HOME Program of Gansu Province (GSHZJH 12-2025-02), Yunnan Province Major Scientific and Technological Project (202302AE090007 and 202402AA310034), Gansu Science Fund for Basic Creative Research Groups (25JRRA469), Sichuan Science and Technology Program (No. 2023YFS0339), and the "Innovation Star" Project for Graduate Students in Gansu Province in 2025 (2025CXZX-923).

语种：英文

外文关键词：Ligusticum chuanxiong Hort; network pharmacology; Parkinson's disease; spectrum-effect relationship

摘要：Ligusticum chuanxiong Hort. (CX), a traditional herbal plant, has demonstrated significant therapeutic potential for treating neurological disorders. However, systematic studies screening its key active compounds for Parkinson's disease (PD) have been limited. This study aims to comprehensively identify the primary anti-PD compounds derived from CX by integrating computational and experimental approaches, including network pharmacology, HPLC analysis, spectrum-effect relationships, and molecular docking, alongside cellular and animal model validation. Our findings indicate that among the three CX extracts tested, CXEO (essential oil of CX) exhibited the most potent anti-PD activity. Spectrum-effect relationship analysis, validated through experimental studies, identified Senkyunolide A as the key active compound in CXEO. Network pharmacology analysis, further supported by validation using the GEO database, revealed tumor necrosis factor (TNF), interleukin 1 beta (IL-1 beta), intercellular adhesion molecule 1 (ICAM1), vascular cell adhesion molecule-1 (VCAM1), and prostaglandin endoperoxide synthase 2 (PTGS2) as the primary molecular targets through which Senkyunolide A exerts its anti-PD effects, suggesting that its mechanism of action may involve modulation of inflammatory pathways. Additional investigation into differentially expressed genes related to PD, based on the GEO database, further confirmed the clinical relevance of Senkyunolide A in PD. These findings suggest that Senkyunolide A from L. chuanxiong Hort. holds potential as a therapeutic compound for PD.