Integrating network pharmacology, molecular docking and dynamics simulation to decipher the antipyretic mechanisms of Xiaochaihu granules

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Source: Frontiers Medicine

Original: https://www.frontiersin.org/articles/10.3389/fmed.2026.1772991...

Published: 2026-02-20T00:00:00Z

Xiaochaihu Granules (XCHG) is a traditional Chinese medicine with a long history of use to treat fever, but its exact mechanism of action has not been well understood[1]. The research team used a combined approach involving computational modeling, molecular docking, and laboratory tests to elucidate how XCHG works against fever[4]. The study identified five key active compounds in XCHG (oroxylin A, wogonin, baicalein, liquiritigenin, and enoxolone) and 17 target molecules that these compounds affect[4]. Researchers have found that XCHG works through two main mechanisms: it blocks EGFR-SRC signaling while activating ESR1, thereby suppressing inflammatory mediators such as TNF-α, IL-6, and IL-1β[ 4 ]. In laboratory tests with macrophage cells, XCHG dose-dependently inhibited the production of nitric oxide and reduced the levels of pro-inflammatory substances[4]. These findings provide a scientific basis for the clinical efficacy of XCHG and establish a methodological framework for the investigation of complex herbal medicinals[4].