期刊
BIOORGANIC & MEDICINAL CHEMISTRY
卷 29, 期 -, 页码 -出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmc.2020.115886
关键词
Acanthoic acid; Cholangiocarcinoma; Triazole; Cytotoxicity; Modification
资金
- Rambhai Barni Rajabhat University through National Research Council of Thailand [1109/2559, 1122/2560]
- Research Unit in Synthetic Compounds and Synthetic Analogues from Natural Product for Drug Discovery (RSND), Burapha University
A novel series of acanthoic acid analogues containing triazole moiety were synthesized, with 3d exhibiting the strongest cytotoxic activity. Computational studies showed that 3d has high binding energy with CDK-2 and EGFR protein kinases, indicating its potential as an anticancer agent.
A novel series of acanthoic acid analogues containing triazole moiety were synthesized through esterification and CuAAC reaction. Evaluation of their biological activities against four cell lines of cholangiocarcinoma cells showed that 3d exhibited the strongest activity with an IC50 value of 18 mu M against KKU-213 cell line, which was 8 fold more potent than acanthoic acid. Interestingly, the triazole ring and nitro group on benzyl ring play very significant role in cytotoxic activity. The computational studies revealed that 3d occupies the binding energy of -12.7 and -10.8 kcal/mol with CDK-2 and EGFR protein kinases, respectively. This result might provide a beginning for the development of acanthoic acid analogues as an anticancer agent.
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