1. Academic Validation
  2. Synthesis, biological evaluation and molecular docking studies of 1,3,4-thiadiazole derivatives containing 1,4-benzodioxan as potential antitumor agents

Synthesis, biological evaluation and molecular docking studies of 1,3,4-thiadiazole derivatives containing 1,4-benzodioxan as potential antitumor agents

  • Bioorg Med Chem Lett. 2011 Oct 15;21(20):6116-21. doi: 10.1016/j.bmcl.2011.08.039.
Juan Sun 1 Yu-Shun Yang Wei Li Yan-Bin Zhang Xiao-Liang Wang Jian-Feng Tang Hai-Liang Zhu
Affiliations

Affiliation

  • 1 State Key Laboratory of Pharmaceutical Biotechnology, Nanjing University, Nanjing 210093, People's Republic of China.
Abstract

A series of 1,3,4-thiadiazole derivatives containing 1,4-benzodioxan (2a-2s) have been synthesized to screen for FAK inhibitory activity. Compound 2p showed the most potent biological activity against HEPG2 Cancer cell line (EC(50)=10.28 μg/mL for HEPG2 and EC(50)=10.79 μM for FAK), which was comparable to the positive control. Docking simulation was performed to position compound 2p into the FAK structure active site to determine the probable binding model. The results of antiproliferative and Western-blot assay demonstrated that compound 2p possessed good antiproliferative activity against HEPG2 Cancer cell line. Therefore, compound 2p with potent FAK inhibitory activity may be a potential Anticancer agent against HEPG2 Cancer cell.

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