INDOLE DERIVATIVES: DESIGN, SYNTHESIS, IN-VITRO BIOLOGICAL EVALUATION AND MOLECULAR DOCKING STUDY AS ANTICANCER AGENTS

A. A, P. B, Velmurugan R
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Abstract

New hetero annulated indoles were synthesized and structurally characterized by spectral means. In order to understand the nature of interactions of these molecules, we carried out molecular docking studies using the protein kinase CK2 inhibitors. The docking results provided some useful information for the futuredesign of more potent inhibitors. The in vitro cytotoxicity was evaluated for all the new compounds by MTT assay against HeLa and compared with the standard drug ellipticine. All the compounds showed moderate to potent activity against the cell lines. The preliminary structure–activity relationships were carried out.
吲哚衍生物:抗癌药物的设计、合成、体外生物学评价及分子对接研究
合成了新的杂环吲哚,并用光谱方法对其进行了结构表征。为了了解这些分子相互作用的本质,我们使用蛋白激酶CK2抑制剂进行了分子对接研究。对接结果为今后设计更有效的抑制剂提供了一些有用的信息。采用MTT法评价新化合物对HeLa的体外细胞毒性,并与标准药物椭圆素进行比较。所有化合物均表现出中等至强效的抗细胞系活性。初步建立了构效关系。
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