Anthriscus cerefolium (L.) Hoffm. 的化学分析、草药提取物的生物潜力、分子建模和 KEGG 通路分析。
Chemical profiling of Anthriscus cerefolium (L.) Hoffm., biological potential of the herbal extract, molecular modeling and KEGG pathway analysis.
发表日期:2024 Jul 06
作者:
Dejan Stojković, Uroš Gašić, Abdullahi Ibrahim Uba, Gokhan Zengin, Mladen Rajaković, Milena Stevanović, Danijela Drakulić
来源:
ANTIOXIDANTS & REDOX SIGNALING
摘要:
本研究旨在研究 Anthriscus cerefolium 甲醇提取物的化学成分和生物活性。通过 LC-HRMS/MS 分析对提取物进行化学表征。研究了提取物对六种细菌和八种真菌的抗菌活性,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)上测试了提取物的细胞毒性特性。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)通路分析。结果表明,所得提取物富含酚类化合物(共鉴定出72种),其中以丙二酰-1,4-O-二咖啡酰奎尼酸和3,5-O-二咖啡酰奎尼酸为主。该提取物具有抗菌、抗氧化、抗酶、细胞毒性和抗炎特性。鉴定出的化合物表现出与乙酰胆碱酯酶(AChE)的强烈结合,并在较小程度上与丁酰胆碱酯酶(BChE)、葡萄糖苷酶、淀粉酶以及适度的酪氨酸酶结合。 KEGG通路分析表明,某些酚类化合物可能与提取物的抗肿瘤、抗炎和抗微生物活性有关。获得的数据表明,提取物的酚类化合物及其混合物应考虑作为药物和营养制剂成分用于未来的研究。版权所有 © 2023。由 Elsevier B.V. 出版。
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.Copyright © 2023. Published by Elsevier B.V.