Abstract
Generally, inflammatory bowel disease (IBD) can be caused by psychology, genes, environment, and gut microbiota. Therefore, IBD therapy should be improved to utilize multiple strategies. Shen Ling Bai Zhu San (SLBZS) adheres to the aim of combating complex diseases from an integrative and holistic perspective, which is effective for IBD therapy. Herein, a systems pharmacology and microbiota approach was developed for these molecular mechanisms exemplified by SLBZS. First, by systematic absorption-distribution-metabolism-excretion (ADME) analysis, potential active compounds and their corresponding direct targets were retrieved. Then, the network relationships among the active compounds, targets, and disease were built to deduce the pharmacological actions of the drug. Finally, an “IBD pathway” consisting of several regulatory modules was proposed to dissect the therapeutic effects of SLBZS. In addition, the effects of SLBZS on gut microbiota were evaluated through analysis of the V3-V4 region and multivariate statistical methods. SLBZS significantly shifted the gut microbiota structure in a rat model. Taken together, we found that SLBZS has multidimensionality in the regulation of IBD-related physiological processes, which provides new sights into herbal medicine for the treatment of IBD.
Highlights
Recent studies have revealed several factors responsible for the digestive diseases such as irritable bowel syndrome/inflammatory bowel disease (IBS and IBD) [1,2,3,4,5]
A combination of oral bioavailability (OB) (≥30%) screening, Caco-2 permeability (Caco-2) (>-0.4), prediction of permeability, half-life (HL), and druglikeness (DL) (≥0.18) properties was applied to explore the active compounds of Shen Ling Bai Zhu San (SLBZS)
To identify the drug-target direct interactions on a large scale, we hypothesized that the ensemble features of the ligand group can accurately reflect the direct binding information of a specific target based on ligand-target interaction data to establish the weighted ensemble similarity (WES) model
Summary
Recent studies have revealed several factors responsible for the digestive diseases such as irritable bowel syndrome/inflammatory bowel disease (IBS and IBD) [1,2,3,4,5]. A new method that can identify the active compounds and pharmacological targets of herbal medicine is in urgent need of development [8]. Systems pharmacology, which combines oral bioavailability prediction, multitarget prediction, and network analyses, is used to identify the active compounds and pharmacological targets of herbal medicine [9,10,11]. We applied the systems pharmacology method to explore the pharmacological mechanisms of SLBZS. Due to the inherent limitations of the Oxidative Medicine and Cellular Longevity diagnostic methods, the exact evidence of the causal role of microbiota composition on the pathogenesis of the disease remains elusive. A combination of systems pharmacology and 16S rRNA boosts our exploration of the potential relationship among drug-microbiota-target
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
