Mechanisms of indigo naturalis on treating ulcerative colitis explored by GEO gene chips combined with network pharmacology and molecular docking

Abstract

Oral administration of indigo naturalis (IN) can induce remission in ulcerative colitis (UC); however, the underlying mechanism remains unknown. The main active components and targets of IN were obtained by searching three traditional Chinese medicine network databases such as TCMSP and five Targets fishing databases such as PharmMapper. UC disease targets were obtained from three disease databases such as DrugBank,combined with four GEO gene chips. IN-UC targets were identified by matching the two. A protein–protein interaction network was constructed, and the core targets were screened according to the topological structure. GO and KEGG enrichment analysis and bioGPS localization were performed,and an Herbs-Components-Targets network, a Compound Targets-Organs location network, and a Core Targets-Signal Pathways network were established. Molecular docking technology was used to verify the main compounds-targets. Ten core active components and 184 compound targets of IN-UC, of which 43 were core targets, were enriched and analyzed by bioGPS, GO, and KEGG. The therapeutic effect of IN on UC may involve activation of systemic immunity, which is involved in the regulation of nuclear transcription, protein phosphorylation, cytokine activity, reactive oxygen metabolism, epithelial cell proliferation, and cell apoptosis through Th17 cell differentiation, the Jak-STAT and IL-17 signaling pathways, toll-like and NOD-like receptors, and other cellular and innate immune signaling pathways. The molecular mechanism underlying the effect of IN on inducing UC remission was predicted using a network pharmacology method, thereby providing a theoretical basis for further study of the effective components and mechanism of IN in the treatment of UC.

A network pharmacology-based investigation on the bioactive ingredients and molecular mechanisms of Gelsemium elegans Benth against colorectal cancer

“…The candidate compound and the crystal structure of the target protein were downloaded from the PubChem database and RCSB protein data ( http://www.rcsb.org ), respectively. The latter preferably selects a model with ligand binding smaller than 3 Å, and then dehydration, hydrogenation, and separation of ligands were carried out by importing the crystal structure into the Pymol 2.4.1 Software ( https://pymol.org/2/ ); then AutoDockTools 1.5.6 was used to construct the docking grid box of crystal structure for each target [ 37 ]. Docking was done by Autodock Vina 1.1.2 software, and the molecules with the lowest binding energy in the docking conformation were selected to observe the binding effect by comparing with the original ligands and intermolecular interactions (such as hydrophobicity, cation-π, anion-π, π-π stacking, hydrogen bonding, etc.).…”

Beneficial effect of Indigo Naturalis on acute lung injury induced by influenza A virus

“…Researchers have confirmed the definite effect of Indigo Naturalis on psoriasis and colitis, and the mechanisms of action has also been studied [ 21 ]. Indigo Naturalis reduced the expression of cytokines and chemokines and inhibited the proliferation of keratinocytes and endothelial cells to treat psoriasis [ 22 ]. However, there are few reports on the effects and mechanisms of Indigo Naturalis on respiratory virus infection.…”

Efficacy and safety evaluation of hyperbaric oxygen therapy for patients with ulcerative colitis

“…UC is a refractory and immune-related intestinal lesion with repeated attack and unknown etiology, which substantially diminishes the quality of life of patients. [ 17 ] HBOT is a commonly primary or adjunctive medical treatment [ 18 ] and more and more clinical studies suggest it is potentially beneficial to therapy for UC. [ 11 – 13 , 19 , 20 ] Nevertheless, there are no systemic reviews published regarding the effectiveness and safety of HBOT for UC.…”