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Potential molecular targets and drugs for basement membranes-related intervertebral disk degeneration through bioinformatics analysis and molecular docking

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机构: [1]The First Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, Guangdong, P.R. China. [2]Department of Spinal Surgery, The First Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou, Guangdong, P.R. China. [3]Pingshan General Hospital, Southern Medical University, Shenzhen, Guangdong, P.R. China. syp424262@126.com. [4]Pingshan District People's Hospital of Shenzhen, Shenzhen, Guangdong, P.R. China. syp424262@126.com. [5]Rehabilitation Department, Pingshan District People's Hospital, Shenzhen, P.R. China. syp424262@126.com.
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关键词: Basement membranes Annulus fibrosus Intervertebral disc degeneration Bioinformatic analysis Molecular docking

摘要:
Through bioinformatics analysis to identify the hub genes of Intervertebral disc degeneration (IVDD) associated with basement membranes (BMs) and find out the potential molecular targets and drugs for BMs-related annulus fibrosus (AF) degeneration based on bioinformatic analysis and molecular approach.Intervertebral disc degeneration (IVDD) related targets were obtained from GeneCards, DisGenet and OMIM databases. BMs related genes were obtained from Basement membraneBASE database. The intersection targets were identified and subjected to protein-to-protein interaction (PPI) construction via STRING. Hub genes were identified and conducted Gene ontology (GO) and pathway enrichment analysis through MCODE and Clue GO in Cytospace respectively. DSigDB database was retrieved to predict therapeutic drugs and molecular docking was performed through PyMOL, AutoDock 1.5.6 to verify the binding energy between the drug and the different expressed hub genes. Finally, GSE70362 from GEO database was obtained to verify the different expression and correlation of each hub gene for AF degeneration.We identified 41 intersection genes between 3 disease targets databases and Basement membraneBASE database. PPI network revealed 25 hub genes and they were mainly enriched in GO terms relating to glycosaminoglycan catabolic process, the TGF-β signaling pathway. 4 core targets were found to be significant via comparison of microarray samples and they showed strong correlation. The molecular docking results showed that the core targets have strong binding energy with predicting drugs including chitosamine and retinoic acid.In this study, we identified hub genes, pathways, potential targets, and drugs for treatment in BMs-related AF degeneration and IVDD.© 2023. BioMed Central Ltd., part of Springer Nature.

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出版当年[2022]版:
大类 | 3 区 医学
小类 | 4 区 骨科 4 区 风湿病学
最新[2025]版:
大类 | 3 区 医学
小类 | 3 区 骨科 3 区 风湿病学
第一作者:
第一作者机构: [1]The First Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, Guangdong, P.R. China.
通讯作者:
通讯机构: [3]Pingshan General Hospital, Southern Medical University, Shenzhen, Guangdong, P.R. China. syp424262@126.com. [4]Pingshan District People's Hospital of Shenzhen, Shenzhen, Guangdong, P.R. China. syp424262@126.com. [5]Rehabilitation Department, Pingshan District People's Hospital, Shenzhen, P.R. China. syp424262@126.com.
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