Synthesis of thymidine phosphorylase inhibitor based on quinoxaline derivatives and their molecular docking study
We have synthesized quinoxaline analogs (1–25), characterized by 1H-NMR and HREI-MS and evaluated for thymidine phosphorylase inhibition. Among the series, nineteen analogs showed better inhibition when compared with the standard inhibitor 7-Deazaxanthine (IC50 = 38.68 ± 4.42 µM). The most potent...
| Main Authors: | , , , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English English English |
| Published: |
MDPI
2019
|
| Subjects: | |
| Online Access: | http://irep.iium.edu.my/72692/ http://irep.iium.edu.my/72692/ http://irep.iium.edu.my/72692/ http://irep.iium.edu.my/72692/1/72692%20Synthesis%20of%20Thymidine%20Phosphorylase.pdf http://irep.iium.edu.my/72692/2/72692%20Synthesis%20of%20Thymidine%20Phosphorylase%20SCOPUS.pdf http://irep.iium.edu.my/72692/13/72692_Synthesis%20of%20Thymidine%20Phosphorylase%20Inhibitor%20Based%20on%20Quinoxaline%20Derivatives%20and%20Their%20Molecular%20Docking%20Study_wos.pdf |
| Summary: | We have synthesized quinoxaline analogs (1–25), characterized by 1H-NMR and
HREI-MS and evaluated for thymidine phosphorylase inhibition. Among the series, nineteen
analogs showed better inhibition when compared with the standard inhibitor 7-Deazaxanthine
(IC50 = 38.68 ± 4.42 µM). The most potent compound among the series is analog 25 with IC50 value
3.20 ± 0.10 µM. Sixteen analogs 1, 2, 3, 4, 5, 6, 7, 12, 13, 14, 15, 16, 17, 18, 21 and 24 showed outstanding
inhibition which is many folds better than the standard 7-Deazaxanthine. Two analogs 8 and 9 showed
moderate inhibition. A structure-activity relationship has been established mainly based upon the
substitution pattern on the phenyl ring. The binding interactions of the active compounds were
confirmed through molecular docking studies. |
|---|