Open Access Research
Network pharmacology and molecular docking reveal the mechanisms of action of Panax notoginseng against post-COVID-19 thromboembolism
Shouli Yuan1,†
, Ismael Obaidi2,3,†, Tao Zhang4, Maria Pigott2, Shibo Jiang5, Helen Sheridan2
, Junying Liu2,*
1Academy for Advanced Interdisciplinary Studies, Peking University, Beijing, China
2NatPro Centre for Natural Products Research, School of Pharmacy and Pharmaceutical Sciences, Trinity College Dublin, Dublin, Ireland
3College of Pharmacy, University of Babylon, Hillah, Iraq
4School of Food Science & Environmental Health, Technological University Dublin, Grangegorman, Dublin, Ireland
5Key Laboratory of Medical Molecular Virology (MOE/NHC/CAMS), School of Basic Medical Sciences, Shanghai Institute of Infectious Disease and Biosecurity, Fudan University, Shanghai, China
†These authors contributed equally to this work
E-mail: juliu@tcd.ie
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Published: 5 May 2024; https://doi.org/10.61873/DTFA3974
Abstract
Panax notoginseng (PNGS) is a potent folk therapy for blood-related diseases. However, further research is required to fully elucidate the mechanisms of its pharmacological activities and to explore its therapeutic potential for treating thromboembolism (TE) caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). This study aimed at analysing the molecular mechanisms of PNGS and at clarifying their potential role in treating TE induced by COVID-19, by employing network pharmacology and molecular docking. To this end, a network pharmacological approach was combined with expression profiling by high-throughput sequencing of GSE156701 so as to elucidate the compound constituents of PNGS for treating TE caused by SARS-CoV-2 at a systemic level. Protein-protein interaction network, Gene Ontology, and Kyoto Encyclopedia of Genes and Genomes analyses were employed in order to decipher the associated drug-target interactions. The integration of these results suggested that five targets, including the angiotensin-converting enzyme (ACE), the coagulation factor III (F3), interleukin-1 beta (IL-1β), the mitogen-activated protein kinase 1 (MAPK1), and the plasminogen activator inhibitor-1 (SERPINE1), represent major genes involved in thromboembolism. The data suggest that PNGS exerts collective therapeutic effects against TE caused by SARS-CoV-2, and provides a theoretical basis for further laboratory study of the active drug-like ingredients and the potential mechanisms of PNGS in TE treatment.
Keywords: Panax notoginseng, SARS-CoV-2, post-acute COVID-19, thromboembolism, network pharmacology
Please cite as:
Yuan S., Obaidi I., Zhang T., Pigott M., Jiang S., Sheridan H., Liu J. Network pharmacology and molecular docking reveal the mechanisms of action of Panax notoginseng against post-COVID-19 thromboembolism. Rev. Clin. Pharmacol. Pharmacokinet. Int. Ed. 38(Sup2): 181-184 (2024). https://doi.org/10.61873/DTFA3974