Based on Network Pharmacology and Molecular Docking Technology to Explore the Mechanism of Coptis in the Treatment of Diabetic Nephropathy

Yuexing Ma, Yuexing Ma, Yuexing Ma, Zixuan Luo, Zixuan Luo, Simin Liu, Simin Liu, Haoyi Zheng, Haoyi Zheng, Rongbin Pan, Zhixin Zhu, Zhixin Zhu, Zirong Peng, Zirong Peng, Mengyu Hou, Xuening Huang, Xin Qiao

2022

Abstract

Objective Based on network pharmacology and molecular docking to explore the mechanism of Coptis in the treatment of diabetic nephropathy. Methods Search and screen the main active ingredients in Coptis chinensis through the TCM System Pharmacology Database and Platform (TCMSP) and obtain the corresponding targets. Through the four databases of GeneCards, OMIM, PharmGkb, and TTD, the genes related to diabetic nephropathy are searched and merged, and the target genes of the effective component target and the disease-related gene intersection are obtained through the R language. Cytoscape 3.8.0 software was used to construct a drug component-target-disease regulation network, and a protein interaction network was constructed through the STRING online website. Using R language, GO enrichment analysis and KEGG enrichment analysis were performed on the potential targets of Huanglian in the treatment of diabetic nephropathy. In AutoDockTools-1.5.6, the molecular docking of key target proteins and main active ingredients is realized. As a result, 10 active ingredients of Coptidis for treating diabetic nephropathy were obtained, including: berberine, quercetin, etc.; corresponding to 104 target genes, including: PTSG2, CCL2, MAPK1, etc. Among them, PTSG2 is the core of the PPI network Protein; KEGG pathway enriched to obtain 166 pathways, including: IL-17 signaling pathway, TNF signaling pathway, NF-kappa B signaling pathway, VEGF signaling pathway, etc. The results of molecular docking showed that berberine (berberine) has binding properties to PTSG2. Conclusion Through network pharmacology, the target and mechanism of Coptidis in the treatment of diabetic nephropathy are predicted.1 Introduction.

Paper Citation

in Harvard Style

Ma Y., Luo Z., Liu S., Zheng H., Pan R., Zhu Z., Peng Z., Hou M., Huang X. and Qiao X. (2022). Based on Network Pharmacology and Molecular Docking Technology to Explore the Mechanism of Coptis in the Treatment of Diabetic Nephropathy. In Proceedings of the 4th International Conference on Biomedical Engineering and Bioinformatics - Volume 1: ICBEB, ISBN 978-989-758-595-1, pages 638-645. DOI: 10.5220/0011250500003443

in Bibtex Style

@conference{icbeb22,
author={Yuexing Ma and Zixuan Luo and Simin Liu and Haoyi Zheng and Rongbin Pan and Zhixin Zhu and Zirong Peng and Mengyu Hou and Xuening Huang and Xin Qiao},
title={Based on Network Pharmacology and Molecular Docking Technology to Explore the Mechanism of Coptis in the Treatment of Diabetic Nephropathy},
booktitle={Proceedings of the 4th International Conference on Biomedical Engineering and Bioinformatics - Volume 1: ICBEB,},
year={2022},
pages={638-645},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0011250500003443},
isbn={978-989-758-595-1},
}

in EndNote Style

TY - CONF

JO - Proceedings of the 4th International Conference on Biomedical Engineering and Bioinformatics - Volume 1: ICBEB,
TI - Based on Network Pharmacology and Molecular Docking Technology to Explore the Mechanism of Coptis in the Treatment of Diabetic Nephropathy
SN - 978-989-758-595-1
AU - Ma Y.
AU - Luo Z.
AU - Liu S.
AU - Zheng H.
AU - Pan R.
AU - Zhu Z.
AU - Peng Z.
AU - Hou M.
AU - Huang X.
AU - Qiao X.
PY - 2022
SP - 638
EP - 645
DO - 10.5220/0011250500003443