Description
Title: Wet-Lab Experiments and Comprehensive Bioinformatics Analysis to Identify Target Proteins of Chinese Medicine Monomer
Abstract: It is still urgently necessary to find a solution to the problem of how to use bioinformatics techniques to quickly and precisely locate the active targets of traditional Chinese medicine monomer (TCM). Here, we used high-throughput sequencing to discover which genes were activated by TCM monomers after cells were treated with them, and we then used bioinformatics techniques to investigate which transcription factors were responsible for this activation. The targets of the monomer were then quickly and precisely determined by analyzing the binding proteins of these transcription factors and cross-analyzing them with the docking proteins predicted by small molecule reverse docking software. Following this methodology, we predicted that the JAK2/STAT3 signaling transduction pathway will be activated when the TCM monomer Daphnoretin (DT) directly binds to JAK2 with a binding energy of about 5.43 kcal/mol. Our bioinformatics predictions were further supported by subsequent Western blotting, in vitro binding, and kinase experiments. We have found for the first time that TCM monomer DT is an agonist of JAK2, and our method offers a fresh method for quickly and precisely identifying the targets that TCM monomers are most effective at targeting.
Keywords: bioinformatics; transcription factors; reverse docking; daphnoretin; JAK2 agonist; JAK2/ STAT3; Chinese medicine monomer; NSCs; OPCs; multiple sclerosis
Paper Quality: SCOPUS / Web of Science Level Research Paper
Subject: Chemistry
Writer Experience: 20+ Years
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