海棠生物碱类化合物抗T47D细胞周期体外实验及分子对接

A. Nurhayati, R. Pratiwi, S. Wahyuono, Istriyati, H. Purnomo, S. Abdillah
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引用次数: 6

摘要

化合物1,4,9-三氮杂环[7,3,1,0]三氮杂环-3,5(13),10-三烯-8-醇(SA2014)从海绵中华水藻(Cinachyrella anomalala)中分离得到。体外实验发现,SA2014化合物能够诱导T47D癌细胞的亚g1期和G2/M期细胞周期阻滞。复方SA2014与阿霉素联合用药可诱导细胞周期阻滞在亚g1期和G2/M期。分子对接分析表明,SA2014化合物对cdk2酶有抑制作用。SA2014与cdk2的相互作用强度(对接评分= -65,43)比阿霉素与cdk2的相互作用更稳定(-36,59)。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
In Vitro Test and Molecular Docking of Alkaloid Compound in MarineSponge Cinachyrella anomala against T47D Cell Cycle
The compound 1,4,9-triazatricyclo[7,3,1,0]trideca-3,5(13),10-trien-8-ol (SA2014) was isolated from the marine sponge Cinachyrella anomala. In vitro assay for SA2014 compound was found to be able to induce cell-cycle arrest at the sub-G1 and G2/M phases of T47D cancerous cell. A combined dosage between of SA2014 compound and of doxorubicin was able to induce cell-cycle arrest at sub-G1 and G2/M phases. Molecular docking approach showed that SA2014 compound inhibited cdk2 enzyme. The strength of interaction between SA2014 and cdk2 (docking score = -65,43) was more stable than the interaction between doxorubicin and cdk2 (-36,59).
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