Abstract
Background Yisui Qinghuang powder (YSQHP) is an effective traditional Chinese medicinal formulation used for the treatment of myelodysplastic syndromes (MDS). However, its pharmacological mechanism of action is unclear. Materials and Methods In this study, the active compounds of YSQHP were screened using the traditional Chinese medicine systems pharmacology (TCMSP) and HerDing databases, and the putative target genes of YSQHP were predicted using the STITCH and DrugBank databases. Then, we further screened the correlative biotargets of YSQHP and MDS. Finally, the compound-target-disease (C-T-D) network was conducted using Cytoscape, while GO and KEGG analyses were conducted using R software. Furthermore, DDI-CPI, a web molecular docking analysis tool, was used to verify potential targets and pathways. Finally, binding site analysis was performed to identify core targets using MOE software. Results Our results identified 19 active compounds and 273 putative target genes of YSQHP. The findings of the C-T-D network revealed that Rb1, CASP3, BCL2, and MAPK3 showed the most number of interactions, whereas indirubin, tryptanthrin, G-Rg1, G-Rb1, and G-Rh2 showed the most number of potential targets. The GO analysis showed that 17 proteins were related with STPK activity, PUP ligase binding, and kinase regulator activity. The KEGG analysis showed that PI3K/AKT, apoptosis, and the p53 pathways were the main pathways involved. DDI-CPI identified the top 25 proteins related with PI3K/AKT, apoptosis, and the p53 pathways. CASP8, GSK3B, PRKCA, and VEGFR2 were identified as the correlative biotargets of DDI-CPI and PPI, and their binding sites were found to be indirubin, G-Rh2, and G-Rf. Conclusion Taken together, our results revealed that YSQHP likely exerts its antitumor effects by binding to CASP8, GSK3B, PRKCA, and VEGFR2 and by regulating the apoptosis, p53, and PI3K/AKT pathways.
Highlights
Myelodysplastic syndromes (MDS) are a heterogeneous group of hematological disorders characterized by bone marrow (BM) dysplasia, abnormal myeloid cell differentiation, peripheral blood cytopenia, and an increased risk of leukemic transformation [1]
We identified the bioactive compounds of Yisui Qinghuang powder (YSQHP) using the traditional Chinese medicine systems pharmacology (TCMSP) [12] and HerDing databases [13] and established the network of these compounds, their putative targets, and diseases
A total of 273 known targets of YSQHP were extracted from the TCMSP, HerDing, and STITCH databases, and 2,014 MDS-related genes were obtained from the Online Mendelian Inheritance in Man (OMIM) and GeneCards databases. e Venn plot revealed that 129 MDS-related genes were targeted by YSQHP (Figure 2(a)). e C-T-D network comprised 150 nodes and 339 edges (Figure 2(b))
Summary
Myelodysplastic syndromes (MDS) are a heterogeneous group of hematological disorders characterized by bone marrow (BM) dysplasia, abnormal myeloid cell differentiation, peripheral blood cytopenia, and an increased risk of leukemic transformation [1]. Traditional Chinese medicine (TCM) has been used to treat various illnesses for thousands of years and is associated with fewer toxic effects compared with pharmacological drugs [6, 7]. The therapeutic effects of YSQHP are encouraging, its pharmacological mechanisms of action are still unknown. Yisui Qinghuang powder (YSQHP) is an effective traditional Chinese medicinal formulation used for the treatment of myelodysplastic syndromes (MDS). The active compounds of YSQHP were screened using the traditional Chinese medicine systems pharmacology (TCMSP) and HerDing databases, and the putative target genes of YSQHP were predicted using the STITCH and DrugBank databases. Our results identified 19 active compounds and 273 putative target genes of YSQHP. Our results identified 19 active compounds and 273 putative target genes of YSQHP. e findings of the C-T-D network revealed that Rb1, CASP3, BCL2, and MAPK3 showed the most number of interactions, whereas indirubin, tryptanthrin, G-Rg1, G-Rb1, and G-Rh2 showed the most number of potential targets
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
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 callMore From: Evidence-based complementary and alternative medicine : eCAM
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
