Synthesis, biological evaluation and molecular docking studies of novel 2-(1,3,4-oxadiazol-2-ylthio)-1-phenylethanone derivatives |
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Authors: | Zhang Li-Rong Liu Zhi-Jun Zhang Hui Sun Jian Luo Yin Zhao Ting-Ting Gong Hai-Bin Zhu Hai-Liang |
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Institution: | State Key Laboratory of Pharmaceutical Biotechnology, Nanjing University, Nanjing 210093, PR China. |
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Abstract: | In present study, a series of new 2-(1,3,4-oxadiazol-2-ylthio)-1-phenylethanone derivatives (6a-6x) as potential focal adhesion kinase (FAK) inhibitors were synthesized. The bioassay assays demonstrated that compound 6i showed the most potent activity, which inhibited the growth of MCF-7 and A431 cell lines with IC(50) values of 140 ± 10 nM and 10 ± 1 nM, respectively. Compound 6i also exhibited significant FAK inhibitory activity (IC(50)=20 ± 1 nM). Docking simulation was performed to position compound 6i into the active site of FAK to determine the probable binding model. |
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