Biolabel-led research pattern positions the effects and mechanisms of Sophorae Tonkinensis radix et rhizome on lung diseases: A novel strategy for computer-aided herbal medicine research based on omics and bioinformatics

• Published in: Computers in biology and medicine Vol. 136; p. 104769
• Main Authors: Zhang, Shuai-nan, He, Ya-feng, Li, Xu-zhao, Yang, Wu-de, Zhou, Ying
• Format: Journal Article
• Language: English
• Published: United States Elsevier Ltd 01.09.2021; Elsevier Limited
• Subjects: Acids; Aquatic plants; Betulinic acid; Bioinformatics; Biolabel; Caffeic acid; Cell culture; Cell Line, Tumor; Computational Biology; Discriminant analysis; Drug Design; Drug dosages; Drugs, Chinese Herbal - pharmacology; Enzymes; Gallic acid; Herbal medicine; Humans; Influenza; Lung cancer; Lung carcinoma; Lung diseases; Lung Diseases - drug therapy; Medical research; Medicine; Metabolites; Metabonomics; Morbidity; Neoplasia; Neoplasms; Physiology; Proteins; Proteomics; Rhizome - chemistry; Rhizomes; Software; Sophora - chemistry; Sophorae tonkinensis radix et rhizome; Squamous cell carcinoma; Variance analysis; Israel; United States > US; China; Germany; ST; Lung diseases; MS; Biolabel; Sophorae tonkinensis radix et rhizome; CTD; FDR; Metabonomics; Proteomics; LC; VIP; Bioinformatics; ELISA
• ISSN: 0010-4825; 1879-0534
• DOI: 10.1016/j.compbiomed.2021.104769

Previous studies have shown that Sophorae Tonkinensis radix et rhizome (ST) can be used to treat some lung diseases. However, the therapeutic potentials, therapeutic advantages, mechanism of action, and material basis of ST treatment of lung diseases remain unclear. Thus, the aim of this study was to carry out an integrated analysis based on the biolabel-led research pattern. Proteomics and metabonomics were applied to explore the biolabels responsible for the effect of ST on lung tissue. Based on the biolabels, a bioinformatics database was used to topologically analyze the therapeutic potentials, therapeutic advantages, mechanism of action, and material basis of ST in treating lung diseases. Four human lung-cancer cell models were used to validate the results of the biolabel analysis. In total, 45 proteins and 3 metabolites were significantly enriched in 13 pathways and were considered as biolabels. Bioinformatics revealed that the therapeutic potentials of ST involved a variety of lung diseases, especially lung neoplasms. Under the mediation of 40 biolabels, 29 compounds may be the material basis of ST in treating lung diseases. In a verification experiment, ST had a significant inhibitory effect on the H226 cell line (lung squamous cell carcinoma), which ranks first in morbidity and mortality among lung cancers in China. Additionally, five biolabels (CPS1, CKM, CPT1B, COX5B, and COX4I1) were involved in the anti-lung cancer mechanism of ST and 3 compounds (gallic acid, betulinic acid, and caffeic acid). These findings indicate that the biolabel-led research pattern was helpful in achieving the objectives of this study. [Display omitted] •Biolabel-led research pattern integratively analyzes the therapeutic potentials, therapeutic advantages, mechanism of action, and material basis of ST in the treatment of lung diseases.•Biolabel-led research pattern showed that the therapeutic potentials of ST involved a variety of lung diseases, especially lung neoplasms.•In the verification experiment, five biolabels were involved in the anti-lung cancer mechanism of ST and 3 compounds.