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Design, synthesis and 3D-QSAR study of cytotoxic flavonoid derivatives

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Abstract

Three series of flavonoid derivatives were designed and synthesized. All synthesized compounds were evaluated for cytotoxic activities against five human cancer cell lines, including K562, PC-3, MCF-7, A549, and HO8910. Among the compounds tested, compound 9d exhibited the most potent cytotoxic activity with IC50 values of 2.76–6.98μM. Further comparative molecular field analysis was performed to conduct a 3D quantitative structure–activity relationship study. The generated 3D-QSAR model could be used for further rational design of novel flavonoid analogs as highly potent cytotoxic agents.

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Authors and Affiliations

  1. Institute of Materia Medica, College of Pharmaceutical Sciences, Zhejiang University, Zijingang Campus, Hangzhou, Zhejiang, 310058, People’s Republic of China

    Lili Ou, Shuang Han, Wenbo Ding, Goulin Zhang, Jian-Zhong Chen & Yongping Yu

  2. Institute of Pharmacology and Toxicology and Biochemical Pharmaceutics, College of Pharmaceutical Sciences, Zhejiang University, Zijingang Campus, Hangzhou, Zhejiang, 310058, People’s Republic of China

    Zhe Chen, Ziqi Ye, Hongyu Yang & Yijia Lou

Authors
  1. Lili Ou
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  2. Shuang Han
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  3. Wenbo Ding
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  4. Zhe Chen
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  5. Ziqi Ye
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  6. Hongyu Yang
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  7. Goulin Zhang
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  8. Yijia Lou
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  9. Jian-Zhong Chen
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  10. Yongping Yu
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Correspondence to Jian-Zhong Chen or Yongping Yu.

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Ou, L., Han, S., Ding, W. et al. Design, synthesis and 3D-QSAR study of cytotoxic flavonoid derivatives. Mol Divers 15, 665–675 (2011). https://doi.org/10.1007/s11030-010-9289-7

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  • DOI: https://doi.org/10.1007/s11030-010-9289-7

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