Optimization and Validation of Formulas of Yangxue Qingnao(养血清脑)Preparation and Xiaoyao(逍遥)Pills Based on Artificial Intelligence and Biological Networks
Objective:This study used artificial intelligence and big data to explore ideas for optimizing compound traditional Chinese medicine(TCM)formulas,so as to provide a reference for the secondary development of compound Chinese medicine.Methods:The study focused on the traditional Chinese medicine theory of Jun(君)-Chen(臣)-Zuo(佐)-Shi(使)and predicted the safety of Zhuo and Shi drugs in Yan-gxue Qingnao(养血清脑)Preparation and Xiaoyao(逍遥)Pills based on the TCM safety prediction model.1)The improved formula was obtained after removing the herbals with low safety.2)The herbals with high safety were retained.Based on the absorption,distribution,me-tabolism,and excretion(ADME)properties of herbals and target network correlation analysis,improved formulas were obtained.The random walk algorithm was used to calculate the correlation between the improved formulas of Yangxue Qingnao Preparation and Xiaoyao Pills and their original formulas,respectively.A total of 112 ICR mice were randomly divided into a model group,enteric-coated aspirin tablet group of 0.2 g/kg,original Yangxue Qingnao Preparation groups of 28,14,and 7 g/kg,and improved formula groups of 28,14,and 7 g/kg,with 14 mice in each group.The mice were intraperitoneally injected with 0.6％acetic acid solution 1 h after the last administration,and the effect of the drug on the writhing reaction of mice was observed.78 SD mice were randomly divided into a control group,fluoxetine hydrochloride group of 0.01 g/kg,chronic unpredictable mild stimulation(CUMS)combined with solitary depression rat model group,original Xiaoyao Pill formula group of 4.34 g/kg,and improved formula groups of 4.44 g/kg and 4.40 g/kg,with 13 mice in each group.Weight measurement,sugar water consumption,and open field tests were conducted on the 0th,7th,14th,21st,28th,35th,42nd,49th,56th,and 63rd days of the ex-periment.Enzyme-linked immunosorbent assay(ELISA)was used to detect the contents of dopamine(DA),norepinephrine(NE),5-hydroxytryptamine(5-HT),and brain-derived neurotrophic factor(BDNF)in the hippocampus of the mice.Results:The improved Yangxue Qingnao Preparation was significantly related to primary headaches(Z score=11.95).Compared with the model group,the original Yangxue Qingnao Preparation groups of 28,14,and 7 g/kg and the improved formula groups of 28,14,and 7 g/kg could significantly inhibit the number of writhings in mice caused by acid,which suggested analgesia effect in different levels(P＜0.05 or P＜0.001).The improved Xiaoyao Pill formula was significantly related to depression(Z score=23.61).Compared with the normal control group,the model control group showed significant depressive symptoms on the 63rd day(P＜0.01).Compared with the model control group,the improved Xiaoyao Pill formula group of 4.40 g/kg[removing Bohe(薄荷)and Fuling(茯苓)]significantly improved the depressive symptoms of model rats(P＜0.01),and the contents of DA,NE,5-HT,and BDNF in the hippocampus of mice were significantly increased(P＜0.01),which was more significant than the original Xiaoyao Pill formula group of 4.34 g/kg and the improved formula group(removing Bohe and Fuling)of 4.44 g/kg.Conclusion:The analgesic effect of the improved formula of Yangxue Qingnao Preparation is equivalent to that of the original formula.The improved Xi-aoyao Pill formula(removing Bohe and Fuling)plays an antidepressant role by improving depressive symptoms and increasing the contents of DA,NE,5-HT,and BDNF,and is superior to the original formula.This method provides a reference for the secondary development of com-pound TCM.
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