Lv, Hongyang; Zhang, Xiaorui; Ren, Yuanyuan; Zeng, Yijia; Fang, Qian; Fu, Qinwen; He, Dongmei; Yan, Zhuyun published the artcile< Title The Use of GC-MS and Network Pharmacology to Analyze the Material Basis and Mechanism of Ligusticum chuanxiong Hort. in Treating Chronic Cerebral Circulation Insufficiency>, Product Details of C19H34O2, the main research area is GCMS network pharmacol Ligusticum chuanxiong chronic cerebral circulation insufficiency.
Use Gas chromatog.-mass spectrometry technol. (GC-MS) to identify volatile chem. components in Ligusticum chuanxiong Hort. (LCH). The TCMSP and Swiss Target Prediction online platform were used to screen and predict the potential targets of the chem. components of LCH, and GeneCards, CTD, OMIM, DisGeNET, GEO databases were used to collect the potential targets of chronic cerebral circulation insufficiency (CCCI). A total of 50 volatile chem. components in LCH were analyzed and identified, and 126 potential targets for LCH treatment of CCCI were screened on this basis. Through further network topol. anal., 33 core components and 36 potential core targets were screened out. GO and KEGG enrichment anal. revealed that LCH played a therapeutic role through signaling pathways such as Neuroactive ligand-receptor interaction, Alzheimer disease, Pathways of neurodegeneration-multiple diseases, Proteoglycans in cancer, and Chem. carcinogenesis-receptor activation. The mol. docking results showed the top 4 active ingredients, Ligustilide, Terpineol, 3-Butylidenephthalide, and Linalool, and the top 5 core targets CREBBP, HSP90AA1, ESR1, VEGFA, and NR3 C1 all have good binding activity. The free energy is less than ≤-5 kcal/mol, and the mol. docking conformation is stable. LCH may improve the symptoms of CCCI by acting on inhibiting inflammatory factors, protecting nerve cells, and promoting angiogenesis pathways.
ChemistrySelect published new progress about Aliphatic compounds Role: ANT (Analyte), PKT (Pharmacokinetics), PUR (Purification or Recovery), THU (Therapeutic Use), ANST (Analytical Study), BIOL (Biological Study), PREP (Preparation), USES (Uses). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.
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