首页|期刊导航|中药材|基于谱效关系的赤芍质量标志物筛选及BP人工神经网络抗凝血药效预测模型的构建

基于谱效关系的赤芍质量标志物筛选及BP人工神经网络抗凝血药效预测模型的构建OA北大核心CSTPCD

Screening of Quality Markers of Paeoniae Radix Rubra Based on Spectral Effect Correlation Analysis and Construction of Anticoagulant Efficacy Prediction Model with BP Artificial Neural Network

中文摘要英文摘要

目的:基于谱效关系筛选赤芍抗凝血质量标志物,构建BP人工神经网络模型对不同来源的赤芍进行抗凝血药效预测.方法:通过HPLC建立赤芍指纹图谱,以凝血四项为指标,采用体外抗凝血活性检测法评价赤芍抗凝血药效作用.采用灰色关联度分析法筛选赤芍抗凝血质量标志物,并通过BP人工神经网络构建赤芍抗凝血药效评价模型.结果:赤芍指纹图谱共标定了 22 个共有峰,指认了其中 9 个成分.通过谱效关联分析筛选出赤芍抗凝血候选质量标志物有 7 个,分别为没食子酸、儿茶素、没食子酸乙酯、芍药苷、苯甲酸、1,2,3,4,6-O-五没食子酰葡萄糖、苯甲酰芍药苷.BP人工神经网络模型实测值与预测值最大相对误差为 10.02%,最小相对误差为 0.1%,两组数据间相关系数均大于 0.85.结论:该研究确定了赤芍抗凝血药效的质量标志物,可为赤芍质量评价提供参考;所构建的BP人工神经网络模型可用于赤芍的抗凝血药效评价.

Objective:To screen the anticoagulant quality markers of Paeoniae Radix Rubra based on spectral effect correlation a-nalysis and construct the BP artificial neural network model to predict the anticoagulant efficacy of Paeoniae Radix Rubra from different sources.Methods:The fingerprint of Paeoniae Radix Rubra was established by HPLC,and the anticoagulant efficacy were evaluated by using in vitro anticoagulant activity assay with the four coagulation items as the indexes.The anticoagulant quality markers of Paeoniae Radix Rubra were screened by gray correlation analysis,and the anticoagulant efficacy evaluation model of Paeoniae Radix Rubra was constructed based on BP artificial neural network.Results:A total of 22 common peaks were confirmed in the fingerprint of Paeoniae Radix Rubra,9 components of them were identified.Seven candidate quality markers for anticoagulation of Paeoniae Radix Rubra were screened by spectral effect correlation analysis,including gallic acid,catechin,ethyl gallate,paeoniflorin,benzoic acid,1,2,3,4,6-O-pentagalloylglucose,benzoylpaeoniflorin.The maximum relative error between the measured value and the predicted value of the BP arti-ficial neural network model was 10.02%,the minimum relative error was 0.1%,the correlation coefficients between the two groups of data were more than 0.85.Conclusion:In this study,the candidate quality markers of anticoagulant efficacy of Paeoniae Radix Rubra are identified,which can provide a reference for the quality evaluation of Paeoniae Radix Rubra;The constructed BP artificial neural net-work model can be used for the evaluation of anticoagulant efficacy of Paeoniae Radix Rubra.

况媛媛;苗佳勇;布仁;胡少男;董馨;薛培凤

内蒙古医科大学药学院,内蒙古 呼和浩特 010110内蒙古医科大学药学院,内蒙古 呼和浩特 010110内蒙古医科大学药学院,内蒙古 呼和浩特 010110内蒙古医科大学药学院,内蒙古 呼和浩特 010110内蒙古医科大学药学院,内蒙古 呼和浩特 010110内蒙古医科大学药学院,内蒙古 呼和浩特 010110

医药卫生

赤芍HPLC指纹图谱抗凝血活性谱效关系灰色关联分析BP人工神经网络

Paeoniae Radix RubraHPLC fingerprintAnticoagulation activitySpectral effect relationshipGray correlation anal-ysisBP artificial neural network

《中药材》 2025 (12)

3080-3089,10

内蒙古自治区关键技术攻关计划项目(2021GG0427)内蒙古自治区自然科学基金项目(2024QN08059)内蒙古医科大学大学生创新创业训练计划项目(202310132005,202310132020)

10.13863/j.issn1001-4454.2025.12.022

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