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Design, synthesis and insilico studies of 3-fluoro-3-substituted oxindoles against cancer targets
Journal of Fluorine Chemistry ( IF 1.7 ) Pub Date : 2023-05-05 , DOI: 10.1016/j.jfluchem.2023.110134 P.L.N. Ranganath , A. Venkat Narsaiah
中文翻译:
3-fluoro-3-substituted oxindoles 抗癌靶标的设计、合成和计算机研究
更新日期:2023-05-09
Journal of Fluorine Chemistry ( IF 1.7 ) Pub Date : 2023-05-05 , DOI: 10.1016/j.jfluchem.2023.110134 P.L.N. Ranganath , A. Venkat Narsaiah
Isatin and substituted isatins were subjected to Aldol condensation with various ketones. The resulted 3-hydroxy compounds were transformed into fluorine derivatives. Thus obtained, 3-fluoro-3-substituted oxindoles were screened for Insilco evaluation against anti-cancer targets VEGFR2 and GSK-3β. The study reveals that the fluoro compounds showed binding at their active sites. Particularly, compounds 4i, 4n and 4q shows the best binding affinity and similar hydrophobic interactions as their respective co-crystallized ligands.
中文翻译:
3-fluoro-3-substituted oxindoles 抗癌靶标的设计、合成和计算机研究
靛红和取代的靛红经过与各种酮的羟醛缩合。将所得的 3-羟基化合物转化为氟衍生物。由此获得的 3-fluoro-3-substituted oxindoles 被筛选用于针对抗癌靶标 VEGFR2 和 GSK-3β 的 Insilco 评估。该研究表明,氟化合物在其活性位点显示出结合。特别是,化合物4i、4n和4q显示出最好的结合亲和力和与它们各自的共结晶配体相似的疏水相互作用。