Molecules 2008, 13(5), 1179-1188; doi:10.3390/molecules13051179
Article

Synthesis, Biological Evaluation, and Modeling of Dimeric PPI Analogues as Novel DNA Minor Groove Binders

1 Key Lab of New Drug Design and Discovery of Liaoning Province, School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang 110016, P. R. China 2 Staff Room of Pharmacognosy, Medical College of Chinese People’s Armed Police Force, Tianjin 300162, P. R. China
* Author to whom correspondence should be addressed.
Received: 3 May 2008; in revised form: 19 May 2008 / Accepted: 19 May 2008 / Published: 20 May 2008
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Abstract: A series of symmetrical dimeric proton pump inhibitor (PPI) analogues, designed as novel type DNA minor groove binders, was synthesized and evaluated for anti-tumor activity. Some of these new compounds showed IC50 values below 10 μM in an in vitro anti-tumor test. A molecular modeling study was performed to confirm the sequence selectivity of these compounds towards AT base pairs in DNA. Two effective compounds were selected and docked into the minor groove of DNA. The snug binding may be responsible for their cytotoxic and anti-tumor effects.
Keywords: Anti-tumor; Dimeric PPI analogues; DNA minor groove binders; Molecular modeling

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MDPI and ACS Style

Yang, Y.-H.; Wang, Q.-H.; Nie, H.; Chen, H.; Cheng, M.-S. Synthesis, Biological Evaluation, and Modeling of Dimeric PPI Analogues as Novel DNA Minor Groove Binders. Molecules 2008, 13, 1179-1188.

AMA Style

Yang Y-H, Wang Q-H, Nie H, Chen H, Cheng M-S. Synthesis, Biological Evaluation, and Modeling of Dimeric PPI Analogues as Novel DNA Minor Groove Binders. Molecules. 2008; 13(5):1179-1188.

Chicago/Turabian Style

Yang, Yan-Hui; Wang, Qing-He; Nie, Han; Chen, Hong; Cheng, Mao-Sheng. 2008. "Synthesis, Biological Evaluation, and Modeling of Dimeric PPI Analogues as Novel DNA Minor Groove Binders." Molecules 13, no. 5: 1179-1188.

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