Medication Rule and Mechanism of Patented Chinese Herbal Compounds in Treating Alcoholic Liver Disease Based on Data Mining and Bioinformatics

Song-lin GAO , Liu-ting WEI , Wen-jian WEN , Xiao GUAN , Fei LIANG , Rong-lan LU , Yan QIN , Gui-hua HUANG

Science Technology and Engineering ›› 2024, Vol. 24 ›› Issue (25) : 10715 -10725.

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Science Technology and Engineering ›› 2024, Vol. 24 ›› Issue (25) : 10715-10725 DOI: 10.12404/j.issn.1671-1815.2402822
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Medication Rule and Mechanism of Patented Chinese Herbal Compounds in Treating Alcoholic Liver Disease Based on Data Mining and Bioinformatics
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Abstract

Patent Chinese herbal compounds are empirical prescription with strong practicability, but its medication rules and mechanism in the treatment of alcoholic liver disease (ALD) are still unclear. To analyze the medication regularity of patented Chinese herbal compounds in ALD and explore the potential mechanism of core drugs in regulating ferroptosis in treating ALD by using the methods of data mining and bioinformatics. Using Traditional Chinese Medicine Inheritance Computing System (V3.0), data mining was carried out on the Chinese herbal compounds for the treatment of ALD, and the core drug pairs were extracted. The differentially expressed genes(DEGs) of common molecular targets of "core drug pairs-ALD-ferroptosis" were obtained from GSE28619 dataset, FerrDb and BATMAN-TCM database. The correlation and enrichment of DEGs were analyzed. The machine learning model was constructed to screen the key genes of DEGs, and the nomogram model to predict the incidence risk of ALD was constructed and verified. A total of 229 Chinese herbal compounds were obtained, including 609 traditional Chinese medicines. There were 23 kinds of high-frequency drugs, such as Salviae Miltiorrhizae Radix et Rhizoma, Glycyrrhizae Radix, which are mainly tonifying deficiency drugs, promoting diuresis and dampness drugs, clearing heat drugs and promoting blood circulation and removing blood stasis drugs. Salviae Miltiorrhizae Radix et Rhizoma-Hawthorn is the core drug pair in the treatment of ALD. A total of 10 common molecular targets DEGs were obtained, which can regulate each other and mediate GnRH, AGE-RAGE and other signaling pathways. The RF machine learning model has the best prediction effect, and PSAT1, EGR1, NQO1, AKR1C3 and JUN are the key DEGs. The nomogram model can accurately predict the risk of ALD. The results show that the basic principle of treating ALD with patented Chinese herbal compounds is to strengthen the vital energy and eliminate pathogenic factors. In terms of medication, tonifying deficiency drugs are the main drugs, and promoting diuresis and dampness, clearing heat, promoting blood circulation and removing blood stasis drugs are the auxiliary drugs. Salviae Miltiorrhizae Radix et Rhizoma-Hawthorn regulating ferroptosis in the treatment of ALD may be related to the DEGs such as PSAT1, EGR1, NQO1 and their mediated GnRH, AGE-RAGE and other signaling pathways.

Keywords

alcoholic liver disease / patented Chinese herbal compounds / ferroptosis / data mining / medication rule / bioinformatics / mechanism of action

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Song-lin GAO, Liu-ting WEI, Wen-jian WEN, Xiao GUAN, Fei LIANG, Rong-lan LU, Yan QIN, Gui-hua HUANG. Medication Rule and Mechanism of Patented Chinese Herbal Compounds in Treating Alcoholic Liver Disease Based on Data Mining and Bioinformatics. Science Technology and Engineering, 2024, 24(25): 10715-10725 DOI:10.12404/j.issn.1671-1815.2402822

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