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目的:基于GC-MS分析,建立了石上柏挥发油的化学成分与其抑制人肺癌A459细胞株和肝癌7721细胞株的谱效关系模型,寻找与药效显著相关的活性成分。方法:采用噻唑蓝法(MTT)测定石上柏挥发油抑制人肺癌A459细胞和肝癌7721细胞活性,以半数抑制浓度(IC50)为评价指标;采用GC-MS分析,确定了11个特征峰;利用Simca-p11.5软件的正交投影偏最小二乘法(Orthogonal Partial least squares,OPLS)和SPSS 18.0软件的双变量相关分析(Bivariate),研究特征峰与药效的相关性,根据S-载荷图、变异权重参数值(variable importance in projection,VIP)和皮尔逊相关系数(Pearson)来辨识显著活性成分。结果:GC-MS分析石上柏共得到71个化合物,鉴定出其中64个化合物,其相对峰面积分别占总峰面积的98.19%。主要包括萜类,脂肪酸及其烃类化合物。不同产地石上柏挥发油对A549和7721细胞株具有一定的抑制作用,其中抑制A549细胞最高的IC50为46.81 mg·L-1(S6);抑制7721细胞最高的IC50为34.02 mg·L-1(S5)。通过OPLS和Bivariate数据分析,发现5个挥发油成分,即芳樟醇、橙花叔醇、新植二烯、亚油酸甲酯、植酮,与石上柏挥发油抑制肺癌A549细胞和肝癌7721细胞活性显著相关。结论:该方法能快速、有效地建立石上柏挥发油谱效相关关系,可为石上柏挥发油化学成分药理性质的研究提供参考依据。
OBJECTIVE: To establish a model for the relationship between the chemical constituents of Volatile Oil from Sabina vulgaris and its inhibitory effect on A459 cell line and 7721 cell line of hepatocellular carcinoma based on GC-MS analysis, in order to find out the active components which are significantly related to the drug efficacy. Methods: The volatile oil of Schisandra chinensis was used to inhibit the activity of human lung cancer cell line A459 and hepatocellular carcinoma cell line 7721 by MTT method. The IC50 value was used as the evaluation index. Eleven characteristic peaks were determined by GC-MS analysis. -p11.5 software Orthogonal Partial least squares (OPLS) and SPSS 18.0 software bivariate correlation analysis (Bivariate), study the relationship between characteristic peaks and pharmacodynamics, according to the S-load map, Variable importance in projection (VIP) and Pearson correlation coefficients were used to identify significant active ingredients. Results: A total of 71 compounds were identified by GC-MS and 64 of them were identified. Their relative peak area accounted for 98.19% of the total peak area respectively. Mainly include terpenes, fatty acids and their hydrocarbons. The volatile oil from the leaves of Pseudostellaria tabaci from different areas had some inhibitory effects on A549 and 7721 cell lines, and the highest IC50 was 46.81 mg · L-1 (S6). The highest IC50 of inhibiting 7721 cells was 34.02 mg · L-1 ). Through the OPLS and Bivariate data analysis, it was found that five volatile oil components, namely linalool, nerolidol, neophytadiene, linoleic acid methyl ester, phyton and Volatile Oil from Psidium persica inhibited lung cancer A549 cells and hepatocellular carcinoma 7721 cell activity Significant correlation. Conclusion: This method can quickly and effectively establish the spectral correlation between volatile oil from Psidlaria barbata, and provide a reference for the study on the pharmacological properties of the chemical components of Volatile Oil from Psidium.