@article{3c025af644ec45e79fe4fdd80e24c910,
title = "Structure-based discovery of an immunomodulatory inhibitor of TLR1–TLR2 heterodimerization from a natural product-like database",
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.",
author = "Zhangfeng Zhong and Liu, {Li Juan} and Dong, {Zhi Qiang} and Lihua Lu and Modi Wang and Leung, {Chung Hang} and Ma, {Dik Lung} and Yitao Wang",
note = "Funding information: This work was supported by Hong Kong Baptist University (FRG2/13-14/008 and FRG2/14-15/004), Centre for Cancer and Inflammation Research, School of Chinese Medicine (CCIRSCM, HKBU), the Health and Medical Research Fund (HMRF/ 13121482 and HMRF/14130522), the Research Grants Council (HKBU/201811, HKBU/204612, and HKBU/201913), the French National Research Agency/Research Grants Council Joint Research Scheme (A-HKBU201/12), the Science and Technology Development Fund, Macao SAR (015/2011/A1 and 103/2012/A3) and the University of Macau (MYRG091(Y3-L2)-ICMS12-LCH, MYRG2015-00137-ICMS-QRCM and MRG023/LCH/2013/ICMS). Publisher copyright: {\textcopyright} The Royal Society of Chemistry 2015",
year = "2015",
month = jul,
day = "18",
doi = "10.1039/c5cc02728d",
language = "English",
volume = "51",
pages = "11178--11181",
journal = "Chemical Communications",
issn = "1359-7345",
publisher = "Royal Society of Chemistry",
number = "56",
}