The Potential Effect of Rhizoma coptidis on Polycystic Ovary Syndrome Based on Network Pharmacology and Molecular Docking

Liyun Duan; De Jin; Xuedong An; Yuehong Zhang; Shenghui Zhao; Rongrong Zhou; Yingying Duan; Yuqing Zhang; Xinmin Liu; Fengmei Lian

doi:10.1155/2021/5577610

The Potential Effect of Rhizoma coptidis on Polycystic Ovary Syndrome Based on Network Pharmacology and Molecular Docking

Evid Based Complement Alternat Med. 2021 Jul 8:2021:5577610. doi: 10.1155/2021/5577610. eCollection 2021.

Authors

Liyun Duan^{1

2}, De Jin^{1

2}, Xuedong An^{1

2}, Yuehong Zhang^{1

2}, Shenghui Zhao^{1

3}, Rongrong Zhou^{1

2}, Yingying Duan^{1

3}, Yuqing Zhang^{1

2}, Xinmin Liu¹, Fengmei Lian¹

Affiliations

¹ Department of Endocrinology, Guang'anmen Hospital, China Academy of Chinese Medical Sciences, Beijing 100053, China.
² China Academy of Chinese Medical Sciences, Beijing 100700, China.
³ Beijing University of Chinese Medicine, Beijing 100029, China.

Abstract

Background: Rhizoma coptidis (RC) showed a significant effect on PCOS, but its mechanism in PCOS remains unclear.

Methods: The components of RC were searched by TCMSP. The Smiles number of the active ingredients was queried through PubChem, and the predicted targets were obtained from the SwissTargetPrediction database. The DrugBank, GeneCards, and DisGeNET databases were retrieved to acquire the related targets of PCOS. Then, the network of compound-target was constructed. The core targets were analyzed using protein-protein interaction (PPI) analysis, and the binding activities were verified by molecular docking. The enriched pathways of key targets were examined by GO and KEGG.

Results: 13 components and 250 targets of RC on PCOS were screened. The core network was filtered based on topological parameters, and the key components were palmatine, berberine, berberrubine, quercetin, and epiberberine. The key targets included DRD2, SLC6A4, CDK2, DPP4, ESR1, AKT2, PGR, and AKT1. Molecular docking displayed that the active ingredients of RC had good binding activities with potential targets of PCOS. After enrichment analysis, 30 functional pathways were obtained, including neuroactive ligand-receptor interaction, dopaminergic synapse, and cAMP signaling pathway.

Conclusion: In summary, this study clarified the potential effect of RC on PCOS, which is helpful to provide references for clinical practice. It is also conducive to the secondary development of RC and its monomer components.

Publication types

Review