Pyrimidine Derivatives as Promising Candidates for Potent Antiangiogenic: A silico Study

  • Nadhir Najim Jafar Pharmacy College, Al-Zahraa University for Women, Karbala 65001, Iraq.
  • Ahmed Ali Hussein Pharmacy Department, Al-Mustaqbal University College, 51001 Hillah, Babil, Iraq.

Abstract

Objectives This study planned to explore the effect of many synthetic compounds derived from(4-chloro-6-methoxy-N,N-dimethylpyrimidin-2-amine) as antiangiogenic.
Methods Docking study has been done by using Molecular Operating Environment (2019) to examine the energy binding affinity of tested compounds with VEGFR-2 kinase and using Discovery Studio Visualizer v20.1.0.19295 free version to visualize the surface binding cavity.
Results Theoretical calculation of these compounds showed significant results in comparing to the reference drug compounds, compound (1) which is 4-(4-(1,2,3-selenadiazol-4-yl)phenoxy)-6-methoxy-N,N-dimethylpyrimidin-2-amine gives the lowest binding energy equal to (-8.116) Kcal/mol and nearest to the reference drug compound, and also it has excellent  RMSD equal to (0.9263). The other compounds 4-(4-(1,2,3-thiadiazol-4-yl)phenoxy)-6-methoxy-N,N-dimethylpyrimidin-2-amine, 4-methoxy-N,N-dimethyl-6-(phenylthio)pyrimidin-2-amine, 4-(benzo[d]thiazol-2-ylthio)-6-methoxy-N,N-dimethylpyrimidin-2-amine have -7.739, -7.211 and -7.841 Kcal/mol binding energy and 2.668, 1.745 and 1.377 RMSD respectively.
Conclusion Compound (1) can be recommended as a powerful antiangiogenic due to its theoretical results for binding energy.
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Published
2021-12-26
How to Cite
JAFAR, Nadhir Najim; HUSSEIN, Ahmed Ali. Pyrimidine Derivatives as Promising Candidates for Potent Antiangiogenic: A silico Study. Journal of Contemporary Medical Sciences, [S.l.], v. 7, n. 6, dec. 2021. ISSN 2413-0516. Available at: <http://www.jocms.org/index.php/jcms/article/view/1087>. Date accessed: 25 jan. 2022. doi: https://doi.org/10.22317/jcms.v7i6.1087.