Please use this identifier to cite or link to this item: https://doi.org/10.1111/cbdd.12171
Title: Synthesis and in vitro evaluation of 1,2,4-triazolo[1,5-a][1,3,5]triazine derivatives as thymidine phosphorylase inhibitors
Authors: Bera, H.
Dolzhenko, A.V. 
Sun, L.
Dutta Gupta, S.
Chui, W.-K. 
Keywords: 1,2,4-triazolo[1,5-a][1,3,5]triazine
Computational docking study
Intramolecular heterocyclization
Mixed-type inhibition
Thymidine phosphorylase inhibitors
Issue Date: Sep-2013
Source: Bera, H., Dolzhenko, A.V., Sun, L., Dutta Gupta, S., Chui, W.-K. (2013-09). Synthesis and in vitro evaluation of 1,2,4-triazolo[1,5-a][1,3,5]triazine derivatives as thymidine phosphorylase inhibitors. Chemical Biology and Drug Design 82 (3) : 351-360. ScholarBank@NUS Repository. https://doi.org/10.1111/cbdd.12171
Abstract: In our lead finding program, a series of 1,2,4-triazolo[1,5-a][1,3,5]triazine derivatives were synthesized, and their in vitro thymidine phosphorylase inhibitory potential was explored. Among the different derivatives, compounds having keto group (C = O) at C7 and thioketo group (C = S) at C5 positions showed varying degrees of TP inhibitory activity comparable with positive control, 7-deazaxanthine (7-DX, 2) (IC50 value = 42.63 μm). Enzyme inhibition kinetics study suggested that compound IVn behaved as a mixed-type inhibitor of the enzyme with respect to thymidine (dThd) as a variable substrate. Compound IVn was also found to inhibit PMA-induced MMP-9 expression in MDA-MB-231 cells at sublethal concentrations. Computational docking study was performed to illustrate the enzyme inhibition kinetics and to explore the ligand-enzyme interactions. © 2013 John Wiley & Sons A/S.
Source Title: Chemical Biology and Drug Design
URI: http://scholarbank.nus.edu.sg/handle/10635/106594
ISSN: 17470277
DOI: 10.1111/cbdd.12171
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