关键词: Anthriscus cerefolium Anti-enzymatic Anti-inflammatory Antimicrobial Antioxidant Cytotoxic LC–HRMS/MS Molecular docking

Mesh : Humans Plant Extracts / pharmacology chemistry Antioxidants / pharmacology Anti-Inflammatory Agents / pharmacology Molecular Docking Simulation Cell Line, Tumor Anti-Infective Agents / pharmacology Phytochemicals / pharmacology isolation & purification Phenols / pharmacology

来  源:   DOI:10.1016/j.fitote.2024.106115

Abstract:
This study was designed to investigate chemical composition and biological activities of the Anthriscus cerefolium methanolic extract. Chemical characterization of the extracts was performed by LC-HRMS/MS analysis. Antimicrobial activities of the extract were investigated on six bacteria and eight fungi while antioxidant activity was assessed by six different assays. Anti-enzymatic activity of the methanolic extract was tested on five enzymes associated with therapy of neurodegenerative diseases and diabetes mellitus type 2. Cytotoxic properties of the extract were tested on human immortalized keratinocytes (HaCaT) and tumor cell lines (SiHa, MCF7, HepG2). Anti-inflammatory activity of the extract was assessed on bacteria mediated inflammation model using HaCaT cell line. Molecular docking studies of enzymes and KEGG (Kyoto Encyclopedia of Genes and Genomes) pathway analysis were performed. The results showed that the obtained extract was rich in phenolic compounds (a total of seventy-two were identified), with malonyl-1,4-O-dicaffeoylquinic acid and 3,5-O-dicaffeoylquinic acid dominating in the sample. The extract expressed antimicrobial, antioxidant, anti-enzymatic, cytotoxic and anti-inflammatory properties. The identified compounds demonstrated strong binding to the acetylcholinesterase (AChE) and to a lesser extent, to the butyrylcholinesterase (BChE), glucosidase, amylase, and modestly, to tyrosinase. KEGG pathway analysis has shown that the certain phenolic compounds may be related to anti-tumor, anti-inflammatory and anti-microbial activities of the extract. The data obtained suggest that phenolic compounds of the extract and their mixtures should be considered for future research as ingredients in pharmaceutical and nutraceutical formulations.
摘要:
本研究旨在研究花椒甲醇提取物的化学组成和生物活性。通过LC-HRMS/MS分析进行提取物的化学表征。在六种细菌和八种真菌上研究了提取物的抗菌活性,同时通过六种不同的测定法评估了抗氧化活性。在与神经退行性疾病和2型糖尿病的治疗相关的五种酶上测试了甲醇提取物的抗酶活性。在人永生化角质形成细胞(HaCaT)和肿瘤细胞系(SiHa,MCF7,HepG2)。使用HaCaT细胞系在细菌介导的炎症模型上评估提取物的抗炎活性。进行了酶的分子对接研究和KEGG(京都基因和基因组百科全书)途径分析。结果表明,所得提取物富含酚类化合物(共鉴定72种),其中丙二酰-1,4-O-二咖啡酰基奎尼酸和3,5-O-二咖啡酰基奎尼酸在样品中占主导地位。提取物表达抗菌,抗氧化剂,抗酶,细胞毒性和抗炎特性。鉴定的化合物显示出与乙酰胆碱酯酶(AChE)的强结合,丁酰胆碱酯酶(BChE),葡萄糖苷酶,淀粉酶,谦虚地,酪氨酸酶。KEGG通路分析表明,某些酚类化合物可能与抗肿瘤,提取物的抗炎和抗微生物活性。获得的数据表明,提取物中的酚类化合物及其混合物应作为药物和营养制剂中的成分用于未来的研究。
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