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A network pharmacology study with molecular docking to investigate the possibility of licorice against posttraumatic stress disorder

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Abstract

Post traumatic stress disorder (PTSD) is a mental health condition that has a debilitating effect on a person’s quality of life and leads to a high socioeconomic burden. Licorice has been demonstrated to have neuroprotective and antidepressant-like effects, but little is known about its effects for the treatment of PTSD. The present study aimed to explore the potential of licorice for PTSD therapy using a network pharmacology approach with molecular docking studies. The compounds of licorice were obtained from databases with screening by absorption, distribution, metabolism and excretion (ADME) evaluation. Genes associated with compounds or PTSD were obtained from public databases, and the genes overlapping between licorice compounds and PTSD were compared by Venn diagram. A network of medicine-ingredients-targets-disease was constructed, visualized, and analyzed using cytoscape software. Protein–protein interactions, gene ontology, pathway enrichment and molecular docking were performed to evaluate the effect of licorice for the treatment of PTSD. 69 potential compounds were screened after ADME evaluation. A total of 81 compound-related genes and 566 PTSD-related genes were identified in the databases with 27 overlapping genes. Licorice compounds (e.g., medicarpin, 7-methoxy-2-methyl isoflavone, shinpterocarpin, formononetin, licochalcone a) and target proteins (e.g., ESR1, PTGS2, NOS2, and ADRB2) with high degree in the network were involved in G protein-coupled receptor signaling pathways at the postsynaptic/synaptic membrane. Moreover, neuroactive ligand-receptor interactions, calcium signaling, cholinergic synapse, serotonergic synapse and adrenergic signaling in cardiomyocytes may play important roles in the treatment of PTSD by licorice. This study provides molecular evidence of the beneficial effects of licorice for the treatment of PTSD.

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This article does not contain any studies with human participants or animals performed by any of the authors.

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Acknowledgements

This study was supported by a grant from Natural Science Foundation of Guangdong Province, China (No. 2017A030313448) and National Natural Science Foundation of China (No. 81703731).

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Authors and Affiliations

  1. Pharmaceutical Department, The First Affiliated Hospital of Guangdong Pharmaceutical University, 510080, Guangzhou, People’s Republic of China

    Zhi-Kun Qiu, Jia-Li Pang, Han-Biao Wu, Ze-Min Yang, Xiong Li & Ji-Sheng Chen

  2. Guangdong Pharmaceutical University, Guangzhou, 510006, People’s Republic of China

    Zhi-Ting Liu

  3. Medical Supplies Center of Chinese, PLA General Hospital, Beijing, 100853, People’s Republic of China

    Xu Liu

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  1. Zhi-Kun Qiu
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  5. Xu Liu
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Zhi-Kun Qiu and Zhi-Ting Liu participated in the experiment design, data analysis and writing. Jia-Li Pang, Han-Biao Wu and Xu Liu participated in experiments. Ze-Min Yang, Xiong Li and Ji-Sheng Chen participated in referrences investigation and manuscript revision.

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Qiu, ZK., Liu, ZT., Pang, JL. et al. A network pharmacology study with molecular docking to investigate the possibility of licorice against posttraumatic stress disorder. Metab Brain Dis 36, 1763–1777 (2021). https://doi.org/10.1007/s11011-021-00816-2

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