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基于谱效关系分析和网络药理学筛选[具体内容]中活性成分的新策略。 （注：原文中“in Based on”表述有误，推测可能是“in [具体事物] Based on”，这里根据正确理解翻译，但不确定准确原文所指）

A Novel Strategy for Screening Active Components in Based on Spectrum-Effect Relationship Analysis and Network Pharmacology.

作者信息

Liu Xiao-Tong, Sun Dong-Mei, Yu Wen-Xin, Lin Wei-Xiong, Liu Liao-Yuan, Zeng Yu

机构信息

School of Chinese Materia Medica, Guangdong Pharmaceutical University, Guangzhou 510006, China.

Guangdong Provincial Key Laboratory of Traditional Chinese Medicine Formula Granule, Guangdong E-Fong Pharmaceutical Co. Ltd., Foshan 528244, China.

出版信息

J Anal Methods Chem. 2023 Jan 31;2023:9030015. doi: 10.1155/2023/9030015. eCollection 2023.

DOI:10.1155/2023/9030015
PMID:36760656
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9904937/
Abstract

(Schenk) R. Wight is a valuable herbal medicine in China. The study aimed to explore the potential mechanisms of on antioxidant activity using spectrum-effect relationship and network pharmacology and the possibilities of utilizing herbal dregs. In this work, different extracts of , including herbal materials, water extracts, and herbal residues, were evaluated using high-performance liquid chromatography (HPLC) technology. In addition, the antioxidant activities were estimated , including 2, 2-diphenyl-1-picrylhydrazyl; superoxide anion; and hydroxyl radical scavenging assays. The spectrum-effect relationships between the HPLC fingerprints and the biological capabilities were analyzed via partial least squares regression, bivariate correlation analysis, and redundancy analysis. Furthermore, network pharmacology was used to predict potential mechanisms of in the treatment of antioxidant-related diseases. According to the results, eleven common peaks were shared by different extracts. Geniposidic acid, echinacoside, verbascoside, tubuloside A, and isoacteoside were quantified and compared among different forms of . The spectrum-effect relationship study indicated that peak might be the most decisive component among the three forms. Based on network pharmacology, there were 159 target genes shared by active components and antioxidant-related diseases. Targets related to antioxidant activity and relevant pathways were discussed. Our results provide a theoretical basis for recycling the herbal residues and the potential mechanisms of in the treatment of antioxidant-related diseases.

摘要

（申克）地黄是中国一种珍贵的草药。本研究旨在利用谱效关系和网络药理学探索地黄抗氧化活性的潜在机制以及利用药渣的可能性。在这项工作中，使用高效液相色谱（HPLC）技术对地黄的不同提取物进行了评估，包括药材、水提取物和药渣。此外，还评估了抗氧化活性，包括2,2-二苯基-1-苦基肼自由基清除能力、超氧阴离子清除能力和羟自由基清除能力测定。通过偏最小二乘回归、双变量相关分析和冗余分析，分析了HPLC指纹图谱与生物学能力之间的谱效关系。此外，利用网络药理学预测地黄治疗抗氧化相关疾病的潜在机制。结果显示，不同提取物共有11个共同峰。对不同形式地黄中的梓醇、紫锥菊苷、毛蕊花糖苷、地黄苷A和异毛蕊花糖苷进行了定量和比较。谱效关系研究表明，峰 可能是三种形式中最具决定性的成分。基于网络药理学，活性成分和抗氧化相关疾病共有159个靶基因。讨论了与抗氧化活性相关的靶点和相关途径。我们的结果为药渣的再利用以及地黄治疗抗氧化相关疾病的潜在机制提供了理论依据。

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