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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

Yisheng ChenDepartment of Sports Medicine, Huashan Hospital, Fudan University, Shanghai, ChinaZhiwen LuoDepartment of Sports Medicine, Huashan Hospital, Fudan University, Shanghai, ChinaJinrong LinDepartment of Sports Medicine, Huashan Hospital, Fudan University, Shanghai, ChinaBeijie QiDepartment of Sports Medicine, Huashan Hospital, Fudan University, Shanghai, ChinaYaying SunDepartment of Sports Medicine, Huashan Hospital, Fudan University, Shanghai, ChinaFangqi LiDepartment of Sports Medicine, Huashan Hospital, Fudan University, Shanghai, ChinaChenyang GuoDepartment of Orthopedics, Shanghai General Hospital, Shanghai Jiao Tong University School of Medicine, Shanghai Jiao Tong University, Shanghai 200080, ChinaWeiwei LinDepartment of Neurosurgery, Second Affiliated Hospital of Zhejiang University School of Medicine, Zhejiang University, 88 Jiefang Road, Hangzhou, 310009 Zhejiang, ChinaXueran KangShanghai Jiao Tong University, Shanghai 200080, ChinaXinyi HeState Key Laboratory of Genetics Engineering, Collaborative Innovation Center for Genetics and Development, School Life Sciences and Human Phenome Institute, Fudan University, Shanghai, ChinaQian WangPostdoctoral Workstation, Department of Central Laboratory, The Affiliated Taian City Central Hospital of Qingdao University, Taian 271000, ChinaShiyi ChenDepartment of Sports Medicine, Huashan Hospital, Fudan University, Shanghai, ChinaJiwu ChenDepartment of Orthopedics, Shanghai General Hospital, Shanghai Jiao Tong University School of Medicine, Shanghai Jiao Tong University, Shanghai 200080, China

2022en

ABI

Annotatsiya

(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.

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Identifikatorlar

DOI: 10.1155/2022/9082576

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