Analysis of active components and molecular mechanism of action of Rubia cordifolia L. in the treatment of nasopharyngeal carcinoma based on network pharmacology and experimental verification

Ximing Yang; Yangyang Tao; Runshi Xu; Wang Luo; Ting Lin; Fangliang Zhou; Le Tang; Lan He; Yingchun He

doi:10.1016/j.heliyon.2023.e17078

Analysis of active components and molecular mechanism of action of Rubia cordifolia L. in the treatment of nasopharyngeal carcinoma based on network pharmacology and experimental verification

Heliyon. 2023 Jun 8;9(6):e17078. doi: 10.1016/j.heliyon.2023.e17078. eCollection 2023 Jun.

Authors

Ximing Yang¹, Yangyang Tao¹, Runshi Xu¹, Wang Luo¹, Ting Lin^{1

2}, Fangliang Zhou^{1

3}, Le Tang^{1

3}, Lan He^{2

4}, Yingchun He^{1

2

3}

Affiliations

¹ Hunan University of Chinese Medicine, Changsha 410208, China.
² Hunan Provincial Engineering and Technological Research Center for Prevention and Treatment of Ophthalmology and Otolaryngology Diseases with Chinese Medicine and Protecting Visual Function, Hunan University of Chinese Medicine, Changsha 410208, China.
³ Hunan Provincial Key Laboratory for Prevention and Treatment of Ophthalmology and Otolaryngology Diseases with Chinese Medicine, Hunan University of Chinese Medicine, Changsha 410208, China.
⁴ The First Hospital of Hunan University of Chinese Medicine, Changsha 410208, China.

Abstract

The aim of this study is to explore the active components and potential molecular mechanism of action of Rubia cordifolia L. against nasopharyngeal carcinoma (NPC). We used network pharmacology, molecular docking, and bioinformatics analysis to identify the active components and their role against NPC. The experimental verification was detected by MTT, AnnexinV-FITC/PI double fluorescence staining and Western blotting method. Network pharmacology identified that mollugin is one of the most effective components inRubia cordifolia L. Important NPC targets included HSP90AA1, CDK1, EGFR, PIK3CA, MAPK14, and CDK2. Molecular docking revealed considerable binding activity of mollugin with either of the 6 important NPC targets. Bioinformatics analysis showed that these 6 important targets were mutated in NPC, and the expression of HSP90AA1, PIK3CA, and CDK2 in cancer tissues was significantly different from that in normal tissues. MTT detection and AnnexinV-FITC/PI double fluorescence staining showed that mollugin inhibited the proliferation and induced apoptosis of NPC cells. Western blotting indicated that the molecular mechanism of mollugin against NPC was related to the regulation of the expression of Survivin and XIAP. This study predicted and partially verified the pharmacological and molecular mechanism of action of Rubia cordifolia L. against NPC. Mollugin was identified as a potential active ingredient against NPC. These results prove the reliability of network pharmacology approaches and provide a basis for further research and application of Rubia cordifolia L. against NPC.

Keywords: Bioinformatics; Molecular docking; Molecular mechanism; Nasopharyngeal carcinoma; Network pharmacology; Rubia cordifolia L..