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Discovery and Prediction Study of the Dominant Pharmacological Action Organ of Debeaux Using Multiple Bioinformatic Analyses. | LitMetric

AI Article Synopsis

  • Herbs like Debeaux (ACD) have therapeutic potential, but pinpointing their effects on specific organs has been challenging; this study utilized bioinformatics and transcriptomics to address that issue.
  • Researchers developed computer models of the brain system network (BSN) and intestinal system network (ISN) to predict where ACD acts and confirmed these predictions through molecular docking and gene expression analysis.
  • Findings indicated that ACD mainly targets the brain, showing significant gene expression differences in brain cells compared to intestinal cells, suggesting that this bioinformatics approach could enhance future drug efficacy and safety studies.

Article Abstract

Herbs, such as Debeaux (ACD), have long been used as therapies, but it is difficult to identify which organs of the human body are affected by the various compounds. In this study, we predicted the organ where the drug predominantly acts using bioinformatics and verified it using transcriptomics. We constructed a computer-aided brain system network (BSN) and intestinal system network (ISN). We predicted the action points of ACD using network pharmacology (NP) analysis and predicted the dockable proteins acting in the BSN and ISN using statistical-based docking analysis. The predicted results were verified using ACD-induced transcriptome analysis. The predicted results showed that both the NP and docking analyses predominantly acted on the BSN and showed better hit rates in the hub nodes. In addition, we confirmed through verification experiments that the SW1783 cell line had more than 10 times more differentially expressed genes than the HT29 cell line and that the dominant acting organ is the brain, using network dimension spanning analysis. In conclusion, we found that ACD preferentially acts in the brain rather than in the intestine, and this multi-bioinformatics-based approach is expected to be used in future studies of drug efficacy and side effects.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11432385PMC
http://dx.doi.org/10.3390/ijms251810219DOI Listing

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