作为潜在的抗癌线索的自然灵感的石墨烯功能化胺衍生物:合成,生物评估,亡机制和in silico对接研究
Omaima F Ibrahim1, Rana M I Morsy2, Varsha Menon3
1Chemistry Department, Faculty of Science, Assiut University, Assiut 71516, Egypt; Clinical Pathology Department, Assiut University Hospitals, Assiut 71111, Egypt.
合成了新型的石墨烯 - 胺混合物,并测试了其抗癌性质. 化合物9显示出强大的抗增殖作用,对多个癌症细胞系具有最小的毒性,作为多个点剂.
科学领域:
- 药用化学 医学化学
- 分子药理学分子药理学
- 药物发现 药物发现 药物发现
背景情况:
- 哈尔科因其抗癌活性而闻名.
- cetamol是一种广泛使用的止痛药和抗炎药.
- 混合分子可以提供增强的治疗特征.
研究的目的:
- 设计和合成新型的石墨烯 - 青混合分子.
- 评估这些杂交物对各种人类癌症细胞系的抗增殖活性.
- 研究作用机制并确定最强效化合物的分子点.
主要方法:
- 混凝土 - 甲醇混合物的合成.
- 在体外抗增殖试验对八个人类癌细胞系进行了抗增殖试验.
- 细胞周期分析和细胞亡测定.
- 酶抑制试验 (EGFR,VEGFR-2,COX-2) 和氨酸聚合试验.
- 分子对接研究. 分子对接研究.
主要成果:
- 化合物6a,6b和9表现出显著的抗扩散活性.
- 化合物9是最强的,IC50值在1.50至4.50μM之间对U937,Jurkat,HCT-116和MCF-7细胞,并且对正常细胞没有显著的毒性.
- 化合物9诱导G0/G1细胞周期停止和细胞亡.
- 生物化学分析显示,化合物9是一种多位剂,可以抑制EGFR,VEGFR-2,COX-2和蛋白聚合.
- 分子对接支持强大的结合亲和力,以准蛋白质.
结论:
- 化合物9是抗癌药物开发的有前途的化合物.
- 它的多目标抑制特征有助于其强大的抗癌活性.
- 对化合物9进行进一步的研究是有必要的,因为它具有潜在的治疗应用.
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