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Network Biology, 2021, 11(2): 54-67
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Article

Network pharmacology and component analysis of four herbs decoction molecular mechanism in hypertension treatment

Fui Fui Lem1, Fernandes Opook2, Fahcina P. Lawson3, Wilson Thau Lym Yong4, Fong Tyng Chee5
1Clinical Research Centre, Hospital Queen Elizabeth, Ministry of Health Malaysia, 88586, Kota Kinabalu, Sabah, Malaysia
2Wildlife Health Genetic and Forensic Laboratory, Wildlife and Health Department, Kota Kinabalu, Sabah, Malaysia
3School of Medicine, The Johns Hopkins University, 1550 Orleans Street, 5 North Baltimore, Maryland 21287, USA
4Biotechnology Research Institute, Universiti Malaysia Sabah, Jalan UMS, 88400, Kota Kinabalu, Sabah, Malaysia
5Faculty of Sustainable Agriculture, Universiti Malaysia Sabah, Locked Bag No 3, 90509, Sandakan, Sabah, Malaysia

Received 25 March 2021;Accepted 5 April 2021;Published 1 June 2021
IAEES

Abstract
Traditional Chinese Medicines (TCM) are known for their curative effects on hypertension through a holistic approach. The molecular mechanisms of the formulation comprising Polygonum multiflorum, Rehmannia glutinosa, Senna obtusifolia and Crataegus, used by Chinese practitioners in ameliorating hypertension, however remain a mystery. This initial study is thus aimed at unveiling the molecular mechanisms of this TCM formulation in treating hypertension. The methanolic extract compounds of the decoction were identified through Liquid chromatography mass spectrometry-mass spectrometry (LC-MS/MS). Oral bioavailability and drug likeness were then measured to filter out identified compounds. Several databases, such as the SwissTargetPrediction, STRING, OMIM and KEGG, were used to retrieve information on the predicted targets for the purpose of developing a network using Cytoscape Version 3.8. Enrichment analysis was then performed to elucidate the mechanisms of the decoction in hypertension mitigation. A total of 11 compounds identified were revealed to possess bioavailable and drug like characteristics, based on the Veber and Quantitative Estimation of Drug-likeness (QED) parameters. Pathway analysis showed enrichment of pathways such as cardiac muscle contraction, fluid shear stress and atherosclerosis, dilated cardiomyopathy, renin-angiotensin system and hypertrophic cardiomyopathy (HCM), which are all strongly associated with hypertension. The network pharmacology analysis clearly shows that this TCM decoction ameliorates hypertension through several indirect pathways where most of the targets are involved in HCM, which is caused by hypertension.

Keywords Polygonum multiflorum;Rehmannia glutinosa;Senna obtusifolia;Crataegus;hypertension;network pharmacological analysis;network medicine;ethnomedicine.



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