Please use this identifier to cite or link to this item: https://doi.org/10.1007/s00044-013-0589-1
Title: Synthesis, in vitro evaluation of thymidine phosphorylase inhibitory activity, and in silico study of 1,3,5-triazin-2,4-dione and its fused analogues
Authors: Bera, H.
Chui, W.-K. 
Gupta, S.D.
Dolzhenko, A.V. 
Sun, L.
Keywords: 1,2,4-Triazolo[1,5-a][1,3,5]triazine
7-Deazaxanthine
Molecular docking
Pyrazolo[1,5-a][1,3,5]triazine
Issue Date: Dec-2013
Source: Bera, H., Chui, W.-K., Gupta, S.D., Dolzhenko, A.V., Sun, L. (2013-12). Synthesis, in vitro evaluation of thymidine phosphorylase inhibitory activity, and in silico study of 1,3,5-triazin-2,4-dione and its fused analogues. Medicinal Chemistry Research 22 (12) : 6010-6021. ScholarBank@NUS Repository. https://doi.org/10.1007/s00044-013-0589-1
Abstract: Based on structural similarities with the reference compounds, a series of 1,3,5-triazin-2,4-dione and their fused analogues was designed, synthesized and their in vitro thymidine phosphorylase inhibitory potential was evaluated. The monocyclic analogues were found to be inactive. Among the different fused derivatives synthesized, compounds having keto group (C=O) at C7/C4 and thioketo group (C=S) at C5/C2 position showed TP inhibitory activity comparable to positive control, 7-deazaxanthine (7-DX) (IC50 value = 42.63 μM). Molecular docking of the target compounds into the enzyme thymidine phosphorylase was performed to illustrate the important structural information on the plausible ligand-enzyme-binding interactions. © 2013 Springer Science+Business Media New York.
Source Title: Medicinal Chemistry Research
URI: http://scholarbank.nus.edu.sg/handle/10635/106409
ISSN: 10542523
DOI: 10.1007/s00044-013-0589-1
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

SCOPUSTM   
Citations

8
checked on Feb 14, 2018

WEB OF SCIENCETM
Citations

7
checked on Jan 24, 2018

Page view(s)

32
checked on Feb 19, 2018

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.