@article{9ed30b38ffac4583b635d9c1f6302158,
title = "In silico identification of natural product inhibitors of JAK2",
abstract = "Emodic acid (1) and 6-chloroemodic acid (2) have been identified from a natural product database as useful scaffolds for the future development of novel JAK2 inhibitors using structure-based high-throughput virtual screening. Low-energy binding conformations of 1 and 2 in the JAK2 PTK domain were generated by virtual ligand docking and were found to overlap considerably with the binding pose of CMP6, a known JAK2 inhibitor. Compounds 1 and 2 displayed low micromolar efficacies against JAK2 enzyme activity and JAK2 autophosphorylation in human erythroleukemia cells, and inhibited STAT3 DNA-binding activity in a human hepatocarcinoma cell line.",
keywords = "6-Chloroemodic acid, Emodic acid, JAK2, Natural product, Virtual screening",
author = "Zhong, {Hai Jing} and Sheng Lin and Tam, {I. Lam} and Lihua Lu and Chan, {Daniel Shiu Hin} and Ma, {Dik Lung} and Leung, {Chung Hang}",
note = "Funding Information: This work is supported by Hong Kong Baptist University ( FRG2/12-13/021 and FRG2/13-14/008 ), Centre for Cancer and Inflammation Research , School of Chinese Medicine (CCIR-SCM, HKBU), the Health and Medical Research Fund ( HMRF/13121482 , HMRF/11101212 ), 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 (103/2012/A3) and the University of Macau (MYRG091(Y3-L2)-ICMS12-LCH, MYRG121(Y3-L2)-ICMS12-LCH and MRG023/LCH/2013/ICMS). ",
year = "2015",
doi = "10.1016/j.ymeth.2014.07.003",
language = "English",
volume = "71",
pages = "21--25",
journal = "Methods",
issn = "1046-2023",
publisher = "Academic Press Inc.",
number = "C",
}
