<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Rajendran Mala</style></author><author><style face="normal" font="default" size="100%">Rajamohan Harseni</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Molecular Docking of Glycyrrhiza glabra Metabolites at TLR4 and MLCK: Non Classical Depression Related Targets in the Gut–Brain Axis</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">In silico ADMET prediction</style></keyword><keyword><style  face="normal" font="default" size="100%">Licorice root phytochemicals</style></keyword><keyword><style  face="normal" font="default" size="100%">Neuroinflammation</style></keyword><keyword><style  face="normal" font="default" size="100%">Pattern recognition receptors</style></keyword><keyword><style  face="normal" font="default" size="100%">Stress‑related mood disorders</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2026</style></year><pub-dates><date><style  face="normal" font="default" size="100%">January 2026</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">18</style></volume><pages><style face="normal" font="default" size="100%">74-81</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Introduction:&lt;/strong&gt; Licorice (&lt;em&gt;Glycyrrhiza glabra&lt;/em&gt; L.) is traditionally used for stress, mood and sleep disturbances, but the capacity of its major metabolites to modulate non‑classical gut–brain‑axis targets relevant to depression remains unclear.&lt;strong&gt; Methods: &lt;/strong&gt;This in silico study investigated the anxiolytic–antidepressant potential of nine literature‑reported licorice constituents. These included triterpenoid saponins, triterpenoid acids and prenylated/flavonoid scaffolds. The compounds were docked against two peripheral targets that couple inflammation and barrier dysfunction to mood disorders, namely Toll‑like receptor 4 (TLR4) and myosin light‑chain kinase (MLCK). Molecular docking was performed using CB‑Dock2 with resatorvid (TLR4) and 5-iodonaphthalene-1-sulfonyl homopiperazine (MLCK) as reference antagonists, and drug‑likeness and safety were evaluated by in silico ADMET prediction.&lt;strong&gt; Results: &lt;/strong&gt;Several metabolites, particularly hispaglabridin A, O‑(3‑hydroxy‑6‑oxo‑7‑drimen‑11‑yl)umbelliferone and 3‑oxoglycyrrhetinic acid, showed docking scores at TLR4 (–10.2 to –11.0 kcal/mol) that exceeded resatorvid, and ligands occupied the canonical antagonist pocket, supporting a potential TLR4‑mediated anti‑inflammatory mechanism. At MLCK, glycyrrhizin, licorice saponin and flavonoid rhamnosides formed 5-iodonaphthalene- 1-sulfonyl homopiperazine like complexes in the catalytic groove. ADMET profiling revealed that bulky saponins exhibited high polarity, whereas triterpenoid acids and hispaglabridin A showed high lipophilicity and extensive plasma protein binding. &lt;strong&gt;Conclusions: &lt;/strong&gt;Collectively, these findings suggest that &lt;em&gt;G. glabra &lt;/em&gt;metabolites can, in principle, engage TLR4 and MLCK in a complementary manner, outlining a polypharmacological, gut–brain‑axis‑oriented hypothesis. These conclusions are preliminary and require confirmation through targeted in vitro and in vivo studies of efficacy, pharmacokinetics and safety.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">1</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">74</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Rajendran Mala&lt;sup&gt;1*&lt;/sup&gt;, Rajamohan Harseni&lt;sup&gt;1&lt;/sup&gt; &lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Department of Biotechnology, Mepco Schlenk Engineering College, (autonomous), Sivakasi-626005, Tamilnadu, INDIA&lt;/p&gt;
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