Nadhir N. A. Jafar, A. Hussein
Dec 26, 2021
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Journal
Journal of Contemporary Medical Sciences
Abstract
Objectives: This study planned to explore the effect of many synthetic compounds derived from (4-chloro-6-methoxy- N,N -dimethyl pyrimidin-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.