Title:Potential Targets and Mechanisms of Bitter Almond-Licorice for COVID-19
Treatment Based on Network Pharmacology and Molecular Docking
Volume: 29
Issue: 33
Author(s): Qiwei Hong, Xinyue Shang, Yanan Wu, Zhenlin Nie*Bangshun He*
Affiliation:
- Department
of Laboratory Medicine, Nanjing First Hospital, Nanjing Medical University, Nanjing, China
- Department of Laboratory Medicine, Nanjing First Hospital, China Pharmaceutical University, Nanjing, China
- Department
of Laboratory Medicine, Nanjing First Hospital, Nanjing Medical University, Nanjing, China
Keywords:
Bitter almond, licorice, COVID-19, network pharmacology, molecular docking, traditional chinese medicine.
Abstract:
Background: The outbreak of Corona Virus Disease 2019 (COVID-19) has resulted in millions of
infections and raised global attention. Bitter almonds and licorice are both Traditional Chinese Medicines
(TCM), often used in combination to treat lung diseases. Several prescriptions in the guidelines for the diagnosis
and treatment of coronavirus disease 2019 (trial version ninth) contained bitter almond-licorice, which was
effective in the treatment of COVID-19. However, the active ingredients, drug targets and therapeutic mechanisms
of bitter almonds-licorice for the treatment of COVID-19 remain to be elucidated.
Methods: The active ingredients and targets were derived from the Traditional Chinese Medicine Systems
Pharmacology (TCMSP). Meanwhile, targets associated with COVID-19 were obtained from the GeneCards
database, PharmGkb database and DrugBank database. Then, the potential targets of bitter almond-licorice
against COVID-19 were screened out. Protein-protein interaction (PPI) networks and core targets were analyzed
through the String database and Cytoscape software. In addition, gene ontology (GO) and Kyoto Encyclopedia
of Genes and Genomes (KEGG) pathway enrichment analyses were performed based on potential targets
using R statistical software. Finally, molecular docking was used to validate the binding of the active ingredients
to the core targets.
Results: The results of the TCMSP database showed that the bitter almond-licorice had 89 active components
against COVID-19, involving 102 targets. PPI network and core target analysis indicated that IL-6, TNF,
MAPK1, and IL1B were the key targets against COVID-19. In addition, GO and KEGG enrichment analysis
showed that the bitter almond-licorice were involved in various biological processes through inflammation-related
pathways such as TNF signaling pathway and IL-17 signaling pathway. Finally, molecular docking approaches
confirmed the affinity between the active components of the bitter almond-licorice and the therapeutic
targets.
Conclusion: The bitter almond-licorice could be used to treat COVID-19 by inhibiting inflammatory responses
and regulating cellular stress. This work is based on data mining and molecular docking, and the findings
need to be interpreted with caution.
