Network pharmacology‐based study to identify the significant pathways of Lentinula edodes against cancer

Abstract

Lentinula edodes (LE) is known as a good food source with potent anticancer efficacy, but its active chemical compounds and pathways against cancer have not been revealed. This study was to uncover the active chemical constituents and pathways of LE against cancer through network pharmacology. The chemical compositions were recognized by gas chromatography-mass spectrometry (GC-MS) and filtered drug-like compounds (DLCs) by SwissADME. Targets related to filtered compounds were recognized by two public databases and the final overlapping targets were identified by Venn diagram. Then, protein-protein interaction (PPI) and pathway-target-compound (PTC) networks were built by RStudio. Ultimately, we recognized the key compounds and targets via molecular docking test (MDT). A total of 33 compounds from LE were accepted by Lipinski's rule were selected as DLCs. The 33 compounds were associated with 108 targets and a key target (cyclooxygenase2 [COX2]) was identified through PPI networks. Most significantly, inactivation of pathways in cancer and activation of peroxisome proliferator activated receptor signaling pathway were significant pathways of LE. On MDT, we identified a key compound (Indole, 2-methyl-3-phenyl) on COX2 related to inactivation of athways in cancer, additionally, the number of 6 ergostane steroids was associated with the two pathways might be dual efficacy to alleviate inflammation against cancer. Overall, 13 targets, 11 compounds, and 2 key pathways of LE were identified as the significant elements to treat cancer. Hence, this study shows therapeutic evidence to verify the promising clinical effect of LE on cancer, suggesting that LE might be an important mushroom against cancer. Practical applicationsLentinula edodes (LE) has been used widely in cuisine as well as alternative medicines, especially, for anticancer. The LE has rich nutritional compounds including proteins, vitamins, polyphenols, and glucans, however, most of which have a critical hurdle as poor bioavailability not to be applicable for pharmaceuticals. Its main cause is very hydrophilic property. Thus, we adopted GC-MS analysis to identify lipophilic compounds to enhance cell permeability involved in bioavailability. The compounds

A network pharmacology study to determine the integrated application of dietary plant-derived natural flavonoids and gut microbiota against nonalcoholic fatty liver disease

“…The selected compounds' physicochemical properties or drug-likeness qualities were assessed utilizing Lipinski's rule of ve, the parameters of which were determined by SwissADME web-based tool. Based on Lipinski's rule of ve, 14 out of 16 dietary plant-derived natural avonoids were accepted as drug resemblance qualities without violating of the criteria: (i) molecular weight ≤500, (ii) H-bond donors ≤5, (iii) H-bond acceptors ≤10, and (iv) MLogP ≤4.15 with a bioavailability score of >0.1 (v) Topological Polar Surface Area (TPSA) <140 (Ų) [39,40]. The violated compounds were Epigallocatechin-gallate, and Procyanidins, which were excluded in the analysis.…”