基于piperidine环的新型变异异环化合物的超声波辅助合成和抗瘤评估
Asmaa Aboelnaga1, Eman El-Sayed Ebead1, Ekhlass Nassar1
1Chemistry Department, Faculty of Women for Arts, Science & Education, Ain Shams University, Heliopolis, Egypt.
Future medicinal chemistry
|September 20, 2024
概括
环保合成从皮佩里丁前体中产生了强大的抗瘤异环. 化合物9和14表现出显著的细胞毒性活性,其中潜在的机制涉及ADORA1受体.
科学领域:
- 药用化学 医学化学
- 有机合成 有机合成
- 计算化学计算化学
背景情况:
- 皮皮里丁衍生物是药物发现中的多功能支架.
- 开发具有提高疗效和降低毒性的新型抗瘤药物是优先考虑的.
- 绿色化学方法对于可持续合成至关重要.
研究的目的:
- 从基于piperidine的化合物中实现各种异环环的环保合成.
- 评估合成的异环环作为抗瘤剂的潜力.
- 用计算方法研究作用机制.
主要方法:
- 超声波照射用于绿色合成的皮里,烯和氨酸衍生物.
- 在体外细胞毒性活性测定对抗癌细胞系.
- 密度功能理论 (DFT) 和分子对接研究用于稳定性和受体相互作用分析.
主要成果:
- 与多克索鲁比辛相比,化合物9和14显示出更高的细胞毒性活性.
- 化合物2,6,10和13表现出中间活性.
- 对接研究表明与ADORA1受体的潜在相互作用,表明可能的抗瘤机制.
结论:
- 绿色合成成功地产生了强大的抗瘤异循环 (化合物9和14).
- 计算分析支持这些化合物作为新型抗癌疗法的潜力.
- 与ADORA1受体的相互作用是它们抗瘤作用的拟议机制.
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