新型杂环噻二唑作为 Caspase 3 抑制剂的合成、晶体结构研究、表征和抗癌活性研究

Bhavini K Gharia, B. Suhagia, Vineet Jain
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引用次数: 0

摘要

在本研究中,我们报告了一些新型杂环衍生物的合成,这些衍生物由咪唑和含有环丙基的 1,3,4-噻二唑组成。咪唑噻二唑因其多种生物活性和临床应用而备受关注。我们主要利用参考结构 Pdb 代码:2DKO 进行对接研究。我们报告了一系列新的 5,6 二芳基取代咪唑并[2,1- b]噻二唑类似物,用于靶向 Caspase 家族半胱氨酸蛋白酶。使用合适的流动相进行薄层色谱法监测反应。通过比较 Rf 值,确定了合成化合物的熔点。此外,还通过红外光谱、1H-NMR、13C-NMR 和质谱(MS)研究对这些衍生物进行了表征和确认。在抗癌活性方面,所有选定的化合物都提交给美国国家癌症研究所(NCI)进行体外抗癌试验,以评估其抗癌活性。根据美国国家癌症研究所(NCI)的规程,在全套 NCI 60 细胞组中进行了初级单剂量抗癌试验。结果表明,这些化合物对所有癌细胞株都具有良好的活性。使用比色计检测 Caspase 3 抑制剂试剂盒(CASP3C-1KT)对合成药物进行监测。
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Synthesis, crystal structure studies, characterization and study of novel heterocyclic thiadiazoles as caspase 3 inhibitors for anticancer activity
In the present study we have reported the synthesis of some novel heterocyclic derivatives comprising imidazole and 1,3,4-thiadiazole containing cyclopropyl moiety. Imidazothiadiazoles are of interest because of their diverse biological activities and clinical applications. Primarily docking studies are carried out with reference structure Pdb code:2DKO. We have reported the new series of 5,6 diaryl substituted with imidazo[2,1- b], , thiadiazoles analogs to target caspase family cysteine proteases. The reaction was monitored by Thin-layer chromatography using suitable mobile phase. The Rf values were compared and determined the melting point of synthesized compounds. Further these derivatives were characterized and confirmed by IR, 1H-NMR, 13C-NMR, and Mass spectral (MS) studies. For anticancer activity, all the selected compounds submitted to National Cancer Institute (NCI) for in vitro anticancer assay were evaluated for their anticancer activity. Primary one dose anticancer assay was performed in full NCI 60 cell panel in accordance with the protocol of the NCI, USA. The compounds and showed good activity against all cancer cell lines. The synthesized drugs were monitored with Caspase 3 inhibitor kit.(CASP3C-1KT)using colorimeteric assay.
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