Integrated Molecular Docking and Dynamic Simulations Reveal Glycyrrhizic Acid Alleviates Allergic Rhinitis…

Animal / preclinicalJournal of immunology research· 2026

Integrated Molecular Docking and Dynamic Simulations Reveal Glycyrrhizic Acid Alleviates Allergic Rhinitis in Rats by Inhibiting the TLR4/NF-κB/IL-1β Pathway.

Jianquan Huang, Xinyue Ren, Xiaojin Chen, Xiang Zheng

Allergy & ImmunologyAnimal / preclinicalQ2IF 3.2

Glycyrrhizic acid binds IL-1β most strongly among four TLR4-pathway target proteins

Integrated Molecular Docking and Dynamic Simulations Reveal Glycyrrhizic Acid Alleviates Allergic Rhinitis in Rats by Inhibiting the TLR4/NF-κB/IL-1β Pathway.

Jianquan Huang … Xiang Zheng

Journal of immunology research · 2026 · Q2 in Immunology & Allergy

Background

Allergic rhinitis (allergic rhinitis) is a prevalent chronic inflammatory nasal disorder with suboptimal current therapies.

Methods

An ovalbumin (ovalbumin)-induced allergic rhinitis rat model was established.

Results

IL-1β binds glycyrrhizic acid most tightly, the pathway's key inflammatory driver

-9.3kcal/m

IL-1β

-7.6kcal/m

TLR4

More results

Glycyrrhizic acid significantly reduced sneezing, rhinorrhea, and nasal mucosal pathological damage in allergic rhinitis rats.

It restored the T helper 1 (Th1)/Th2 immune balance by suppressing Th2 cytokines (IL-4 and IL-13) and enhancing Th1 cytokines (interferon-gamma [IFN-γ] and IL-2).

More results

MD simulations confirmed the stable conformational dynamics of the glycyrrhizic acid-IL-1β and glycyrrhizic acid-TLR4 complexes.

“

Conclusion · 1 of 2

Glycyrrhizic acid alleviates allergic rhinitis symptoms by directly binding to core proteins of the TLR4/NF-κB/IL-1β pathway, inhibiting pathway activation, restoring Th1/Th2 immune balance, and suppressing inflammatory responses.

Conclusion · 2 of 2

This study provides structural and functional evidence supporting glycyrrhizic acid as a promising targeted therapeutic candidate for allergic rhinitis.

Integrated Molecular Docking and Dynamic Simulations Reveal Glycyrrhizic Acid Alleviates Allergic Rhinitis in Rats by Inhibiting the TLR4/NF-κB/IL-1β Pathway.

Integrated Molecular Docking and Dynamic Simulations Reveal Glycyrrhizic Acid Alleviates Allergic Rhinitis in Rats by Inhibiting the TLR4/NF-κB/IL-1β Pathway.

Related papers