Exploring the Potential Mechanisms of Melilotus officinalis (L.) Pall. in Chronic Muscle Repair Patterns Using Single Cell Receptor-Ligand Marker Analysis and Molecular Dynamics Simulations

Abstract

Information regarding the function of Melilotus officinalis (L.) Pall. in skeletal muscles is still unknown. In this study, we explored the possible regulatory targets of M. (L.) Pall. that affects the repair patterns in chronic muscle injury. We analyzed the potential target genes and chemical composition of M. (L.) Pall. and constructed a “drug-component-disease target genes” network analysis. Five active ingredients and 87 corresponding targets were obtained. Muscle-tendon junction (MTJ) cells were used to perform receptor-ligand marker analysis using the CellphoneDB algorithm. Targets of M. (L.) Pall. were screened further for the cellular ligand-receptor protein action on MTJs. Enrichment analysis suggests that those protein-associated ligand receptors may be associated with a range of intercellular signaling pathways. Molecular docking validation was then performed. Five proteins (CCL2, VEGFA, MMP2, MET, and EGFR) may be regulated by the active ingredient luteolin and scoparone. Finally, molecular dynamics simulations revealed that luteolin can stably target binding to MMP2. M. (L.) Pall. influences skeletal muscle repair patterns by affecting the fibroblast interactions in the muscle-tendon junctions through the active ingredients luteolin and scoparone.

Erxian Decoction‐induced serum exosomes slowed bone marrow mesenchymal stem cell senescence through mitophagy

“…The predicted intersection of EXD targets with BMSC senescence‐related genes was shown using a Venn Diagram (http://bioinformatics.psb.ugent.be/webtoo/Venn/) 36 . They were together used to build the “component–target network” for EXD‐delayed BMSC senescence 37–39 …”

“…36 They were together used to build the "componenttarget network" for EXD-delayed BMSC senescence. [37][38][39] Next, a protein-protein interaction (PPI) network was produced using STRING (https://string-db.org/), and the top proteins were imported into Cytoscape for further analysis. Finally, R3.6.2 software and KOBAS 3.0 (http://kobas.cbi.pku.edu.cn/) were used to classify Kyoto Encylcopedia of Genes and Genomes (KEGG) enrichment, molecular function, cellular components and biological processes to predict the potential mechanisms by which EXD delays BMSC senescence.…”

Triptoquinone A and B exercise a therapeutic effect in systemic lupus erythematosus by regulating NLRC3

“…Current research reveals that herbal extracts represent a promising avenue for treating systemic diseases ( Zhang et al, 2019a ; Jabbari et al, 2020 ; Tang, Hosein & Mattioli-Belmonte, 2021 ; Pandey & Nimisha, 2020 ). Traditional medicine (TCM) has demonstrated superior efficacy in addressing locomotor system-related diseases and autoimmune disorders in recent years ( Jabbari et al, 2020 ; Pandey & Nimisha, 2020 ; Zhou et al, 2010 ; Li et al, 2021 ; Chen et al, 2022a ). Tripterygium wilfordii Hook F is renowned for its dehumidiferous roots, which produce Tripterygium glycosides (TGTs).…”

Quercetin targets VCAM1 to prevent diabetic cerebrovascular endothelial cell injury

“…In summary, diabetes can affect neurodegenerative diseases caused by diabetes through endothelial cells, and active molecules of herbs can improve diabetes by improving the function of endothelial cells. Active ingredients of Chinese medicine affect disease progression by activating downstream pathways, mainly through ligand receptor binding, to influence cellular secretory functions ( Chen et al, 2022a ; Zhang et al, 2022 ). Therefore, in order to further elaborate the possible mechanisms of the occurrence of neurodegenerative diseases and to illustrate the possible mechanisms of the involvement of Chinese medicine in the prevention of neurodegenerative diseases in diabetes, new theoretical support is provided for the precise treatment of diabetes with Chinese medicine.…”