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Cheng-Liang Ni

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Sep 2026

Unraveling the allosteric inhibition mechanism of TLR2 by CU-CPT22: A combined DFT and enhanced sampling MD study.

Aberrant activation of Toll-like receptors 1/2 (TLR1/2) is critically implicated in the pathogenesis of numerous inflammatory and immune-mediated disorders, positioning this receptor complex as a high-value therapeutic target. CU-CPT22, a well-established small-molecule TLR1/2 inhibitor, exhibits potent and selective i...

Peng Jiao, Cheng-Liang Ni, Hao Jin et al. · 0 citations

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