Discussion on the mechanism of Huatan Maitong tablets in the treatment of H-type hypertension based on network pharmacology and molecular docking combined with artificial neural network
WANG Ji
ZHANG Guanqi
LUO Junyin
HE Jia
Abstract：Objective To explore the mechanism of action of Huatan Maitong tablets in the treatment of H-type hypertension by using network pharmacology and molecular docking combined with artificial neural network,and to probe into scientific meaning of"blood and vein treatment".Methods The effective components of Huatan Maitong tablets were screened in multiple databases.The SwissTargetPrediction database was utilized to predict their corresponding targets.GeneCards database was used to screen the targets of H-type hypertension,and the intersection was selected through Venny 2.1.0.The"disease-effective components-targets"network was constructed using Cytoscape software to screen the core components.STRING database and Cytoscape software were used to construct the protein-protein interaction network to screen core targets.GO functional enrichment analysis and KEGG pathway enrichment analysis were performed using the DAVID database.Finally,molecular docking was performed on the receptor of the core targets and the ligand of the core active ingredients.Through literature search and case review,the TCM syndrome elements and medication rules of H-type hypertension were sorted out,and then an artificial neural network prescription-syndrome prediction model was constructed by Python to explore the corresponding relationship between the syndrome type of H-type hypertension and Huatan Maitong tablets.Results ①A total of 96 effective components and 1 029 predicted targets of Huatan Maitong tablets were screened.Ingredients associated with the disease were naringenin,β-sitosterol,baicalein and so on.There were 114 intersection targets of Huatan Maitong tables and H-type hypertension,and the top five core targets were AKT1,IL6,TNF,IL1B,and TLR4.②GO functional analysis mainly pointed to functions related to response to lipopolysaccharide,hypoxia,and inflammation.The results of KEGG enrichment analysis mainly included advanced glycation end products-receptor of advanced glycation end products(AGE-RAGE)signaling pathway,lipid and atherosclerosis pathway,fluid shear stress and atherosclerosis pathway.③Molecular docking showed that the main active ingredients had good affinity to core targets.④The syndrome elements with the highest frequency of H-type hypertension were"phlegm"and"blood stasis",and the frequency of Chinese herbal medicine collected from Huatan Maitong tablets was as follows:Gastrodia elata Blume 91 times,Pinellia ternata 89 times,Atractylodes macrocephala 70 times,Pheretima 24 times,Acorus tatarinowii 17 times,Exocarpium Citri Grandis 13 times,Hirudo nipponica 13 times,Polygala tenuifolia 9 times,Radix curcumae 8 times,Arisaema cum Bile 3 times,and Bombyx batryticatus 2 times.⑤ The prediction model of prescription-syndrome was constructed based on multi-layer perceptron.The accuracy of Huatan Maitong tablets-phlegm model was 0.81,and the accuracy of Huatan Maitong tablets-blood stasis model was 0.75.Conclusion Huatan Maitong tablets are mainly aimed at treating H-type hypertension with phlegm and stasis syndrome,and acts on multiple targets through naringenin,β-sitosterol,and baicalein to reduce oxidative stress and inflammation,regulate AGE-RAGE signaling pathway and lipid and atherosclerosis pathway,and play a role in the treatment of H-type hypertension.
Keywords：Huatan Maitong tabletsH-type hypertensionartificial neural networknetwork pharmacologymolecular docking
Publication Date：2025-04-30
Online Publishing Date：2026-08-26(First online date of this platform, not the publication date of the document)
Pages：8( 441-448 )