The Inhibitory Effect and Mechanism of Action of Myricaria germanica
Essential Oils on Skin Inflammation based on Network Pharmacology and
Molecular Docking
Authors: Liu Likuan , Wang Mingjin , Zhang Junyan , Chen Wenqing , Zuo Wenming , Zeng Yang , LI Jinping 
Published: December 2024

Background:

Currently, network pharmacology and molecular docking technology are
valuable tools frequently employed to predict the mechanisms and targets of drugs. Wengbu, a Tibetan
medicine, is an anti-inflammatory agent commonly used in the Qinghai-Tibet Plateau of China,
and it has been demonstrated to have an effect against skin inflammation. However, the network
pharmacological mechanisms and targets of Wengbu in relation to skin inflammation have not yet
been reported. This paper aims to provide a scientific basis for the anti-skin inflammatory effects of
Wengbu through experimental verification based on the predicted targets.

Methods:

The chemical constituents and targets of Myricaria germanica Essential oil were identified
through a literature search, as well as databases such as PubChem and Swiss Target Prediction. Targets
associated with skin inflammation were obtained from the Gene Cards human gene database,
DisGeNET, and the OMIN databases. Subsequently, a Myricaria germanica Essential oil-skin inflammation
target database and a corresponding target network diagram were constructed. Biological
function enrichment analysis and molecular docking verification were then conducted. In vitro cell
experiments were performed to validate the role of Myricaria germanica Essential oil's key targets in
inhibiting skin inflammation.

Results:

Ten compounds were selected through a literature review, including linalool, eugenol, and
vanillin. A total of 429 essential oil component targets, 889 skin inflammation targets, and 108 intersection
targets were identified. MAPK1, PIK3CD, PIK3CA, and MAPK14 could be the principal
targets of Myricaria germanica. Essential oil to reduce skin inflammation. The principal signaling
pathways through which Myricaria germanica Essential oil exerts its anti-inflammatory effects include
the cancer pathway, coronavirus disease (COVID-19), lipid metabolism, and atherosclerosis.
These effects may be attributed to the regulation of the cellular inflammatory response, the cellular
response to lipopolysaccharide, and the positive regulation of cytoplasmic calcium concentration.
Molecular docking results indicated that the potential components of Myricaria germanica Essential
oil exhibited strong binding affinity with the core target proteins. In vitro cell experiments demonstrated
that Myricaria germanica Essential oil effectively reduced the levels of TNF-α, IL-6, and
Caspase-3, decreased the levels of reactive oxygen species (ROS) and malondialdehyde (MDA) in
cells, and enhanced the activity of superoxide dismutase (SOD), thereby inhibiting skin inflammation.

Conclusion:

Myricaria germanica Essential oil exhibits multi-component, multi-target, and multipathway
characteristics in the inhibition of skin inflammation. This experiment serves as a reference
and foundation for further elucidating its material basis and the mechanisms involved in inhibiting
skin inflammation.