Pyrimidine Derivatives as Promising Candidates for Potent Antiangiogenic: A silico Study
Keywords:1,2,3-seleniadiazole; Anti-angiogenesis; Anticancer; binding energy; Pyrimidine.
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 v18.104.22.16895 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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