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ADME/toxicity prediction and antitumor activity of novel nitrogenous heterocyclic compounds designed by computer targeting of alkylglycerone phosphate synthase

  • Authors:
    • Yu Zhu
    • Yuan Han
    • Ying Ma
    • Ping Yang
  • View Affiliations / Copyright

    Affiliations: Department of Clinical Laboratory, Tianjin Key Laboratory of Cerebral Vessels and Neural Degeneration, Tianjin Huanhu Hospital, Tianjin 300350, P.R. China, Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin 300070, P.R. China
    Copyright: © Zhu et al. This is an open access article distributed under the terms of Creative Commons Attribution License.
  • Pages: 1431-1438
    |
    Published online on: June 1, 2018
       https://doi.org/10.3892/ol.2018.8873
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Abstract

Alkylglycerone phosphate synthase (AGPS) is an oncogene and can be considered as an antitumor drug target. The aim of the present study was to design novel nitrogenous heterocyclic compound improving targetability by computer‑aided drug design technology targeting AGPS. A total of 12 nitrogenous heterocyclic compounds were designed and predicted the absorption, distribution, metabolism and excretion parameters/toxicity. Their activity in terms of proliferation inhibition, cell cycle arrest and apoptosis induction was then measured using an MTS assay and a high‑content screening system in U251 cells. The results showed that anti‑glioma activity was present in compounds N4, N5, N6, N7, N8 and N12, which was in accordance with the computer prediction. Therefore, these compounds may be suitable for the development of a novel glioma therapeutic drug.
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Copy and paste a formatted citation
Spandidos Publications style
Zhu Y, Han Y, Ma Y and Yang P: ADME/toxicity prediction and antitumor activity of novel nitrogenous heterocyclic compounds designed by computer targeting of alkylglycerone phosphate synthase. Oncol Lett 16: 1431-1438, 2018.
APA
Zhu, Y., Han, Y., Ma, Y., & Yang, P. (2018). ADME/toxicity prediction and antitumor activity of novel nitrogenous heterocyclic compounds designed by computer targeting of alkylglycerone phosphate synthase. Oncology Letters, 16, 1431-1438. https://doi.org/10.3892/ol.2018.8873
MLA
Zhu, Y., Han, Y., Ma, Y., Yang, P."ADME/toxicity prediction and antitumor activity of novel nitrogenous heterocyclic compounds designed by computer targeting of alkylglycerone phosphate synthase". Oncology Letters 16.2 (2018): 1431-1438.
Chicago
Zhu, Y., Han, Y., Ma, Y., Yang, P."ADME/toxicity prediction and antitumor activity of novel nitrogenous heterocyclic compounds designed by computer targeting of alkylglycerone phosphate synthase". Oncology Letters 16, no. 2 (2018): 1431-1438. https://doi.org/10.3892/ol.2018.8873
Copy and paste a formatted citation
x
Spandidos Publications style
Zhu Y, Han Y, Ma Y and Yang P: ADME/toxicity prediction and antitumor activity of novel nitrogenous heterocyclic compounds designed by computer targeting of alkylglycerone phosphate synthase. Oncol Lett 16: 1431-1438, 2018.
APA
Zhu, Y., Han, Y., Ma, Y., & Yang, P. (2018). ADME/toxicity prediction and antitumor activity of novel nitrogenous heterocyclic compounds designed by computer targeting of alkylglycerone phosphate synthase. Oncology Letters, 16, 1431-1438. https://doi.org/10.3892/ol.2018.8873
MLA
Zhu, Y., Han, Y., Ma, Y., Yang, P."ADME/toxicity prediction and antitumor activity of novel nitrogenous heterocyclic compounds designed by computer targeting of alkylglycerone phosphate synthase". Oncology Letters 16.2 (2018): 1431-1438.
Chicago
Zhu, Y., Han, Y., Ma, Y., Yang, P."ADME/toxicity prediction and antitumor activity of novel nitrogenous heterocyclic compounds designed by computer targeting of alkylglycerone phosphate synthase". Oncology Letters 16, no. 2 (2018): 1431-1438. https://doi.org/10.3892/ol.2018.8873
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