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Issue 56, 2015
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Structure-based discovery of an immunomodulatory inhibitor of TLR1–TLR2 heterodimerization from a natural product-like database

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Abstract

We report herein the identification of an immunomodulatory natural product-like compound 1 as a direct inhibitor of TLR1–TLR2 heterodimerization. Compound 1 suppressed TNF-α and IL-6 secretion in Pam3CSK4-induced macrophages. Moreover, compound 1 inhibited the phagocytic activity of macrophages, presumably through modulation of TLR1–TLR2 signaling and inactivation of NF-κB. Molecular docking revealed that compound 1 bound to the interface region of TLR1–TLR2 by forming two hydrogen bonds with residues lining the binding site. To our knowledge, compound 1 has been only the second inhibitor overall of TLR1–TLR2 heterodimerization reported to date.

Graphical abstract: Structure-based discovery of an immunomodulatory inhibitor of TLR1–TLR2 heterodimerization from a natural product-like database

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Publication details

The article was received on 01 Apr 2015, accepted on 21 May 2015 and first published on 21 May 2015


Article type: Communication
DOI: 10.1039/C5CC02728D
Citation: Chem. Commun., 2015,51, 11178-11181
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    Structure-based discovery of an immunomodulatory inhibitor of TLR1–TLR2 heterodimerization from a natural product-like database

    Z. Zhong, L. Liu, Z. Dong, L. Lu, M. Wang, C. Leung, D. Ma and Y. Wang, Chem. Commun., 2015, 51, 11178
    DOI: 10.1039/C5CC02728D

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