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Advanced Neurology

ORIGINAL RESEARCH ARTICLE
Target molecular-based neuroactivity

screening of Panax ginseng through network
pharmacology integrated molecular docking

2
Mizna Javed , Munaza Ijaz *, Manal Buabeid , and Ghulam Murtaza 1
3,4
1
1 Department of Pharmacy, COMSATS University Islamabad, Lahore Campus, Lahore, Pakistan
2 Department of Microbiology, University of Central Punjab, Lahore, Pakistan
3 Department of Clinical Sciences, College of Pharmacy and Health Sciences, Ajman University,
Ajman, United Arab Emirates
4 Medical and Bio Allied Health Sciences Research Centre, Ajman University, Ajman, United Arab
Emirates

Abstract

Panax ginseng is a medicinal herb that has therapeutic effects against neuronal
damage. The main goal of the present study is to investigate the therapeutic
potential of P. ginseng in treating neuronal damage through in silico analysis. The
literature review was conducted to create a ingredients-target database for P. ginseng.
The database was essential in identifying the targets related to neuronal damage,
which was followed by the construction of protein-protein interaction network
by the STITCH database. The enrichment analysis was performed using Cytoscape
(ClueGO) software. The molecular docking analysis was ran using AutoDock and
*Corresponding author: Discovery Studio. The literature search revealed the presence of 66 compounds in
Munaza Ijaz
(munazza3murtaza@gmail.com) P. ginseng, which subsequently resulted in the retrieval of 102 potential targets of
these compounds. They were screened for their association with neuronal damage.
Citation: Javed M, Ijaz M,
Buabeid M, et al., 2022, Target Three proteins, namely, Glutathione S-transferase P1, HSP90, and Mitogen-activated
molecular-based neuroactivity protein kinases (MAPK8), were found to be in prime interaction with the relative
screening of Panax ginseng through compounds. Subsequently, 91 Gene ontology terms were found, of which four genes
network pharmacology integrated
molecular docking. Adv Neuro, were associated with neuronal damage. Molecular docking analysis also revealed
1(2): 44. good binding affinities of various compounds of P. ginseng to the selected target,
https://doi.org/10.36922/an.v1i2.44 MAPK8. In conclusion, the biological processes linked to the therapeutic action of
Received: March 6, 2022 P. ginseng involve the positive regulation of JUN kinase activity, chaperone-mediated
protein folding, and MyD88-dependent toll-like receptor signaling pathway.
Accepted: April 23, 2022
Published Online: May 25, 2022
Keywords: Panax ginseng; STITCH; Biological effects; Cytoscape; Neuronal damage;
Copyright: © 2022 Author(s).
This is an Open Access article Mechanism of action
distributed under the terms of the
Creative Commons Attribution
License, permitting distribution,
and reproduction in any medium,
provided the original work is 1. Introduction
properly cited. Plant-derived compounds, also known as natural compounds, have garnered much
Publisher’s Note: AccScience attention in the recent years due to their therapeutic effects against many diseases and
Publishing remains neutral with pathological conditions. Their potent activities attributed to their phytochemical and
regard to jurisdictional claims in
published maps and institutional pharmacological properties will certainly benefit many given their widespread use
affiliations. in traditional as well as modern medicine. Therefore, their use has been embraced as

Volume 1 Issue 2 (2022) 1 https://doi.org/10.36922/an.v1i2.44