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合成,生物和分子对接研究的胺基衍生生物活性希夫基基

Saira Manzoor¹, Rana Adnan Tahir², Muhammad Adnan Younis³

¹International Collaborative Laboratory of 2D Materials for Optoelectronics Science and Technology of Ministry of Education, Institute of Microscale Optoelectronics, Shenzhen University, Shenzhen 518060, China; State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, China.

Bioorganic chemistry

|September 4, 2023

概括

新的皮里米丁希夫基显示出显著的抗菌,抗氧化,抗真菌和抗癌特性. 与标准药物相比,计算对接揭示了优越的结合亲和力,突出了它们的治疗潜力.

科学领域:

药用化学医学化学
计算化学的计算化学
分子生物学分子生物学

背景情况:

胺是DNA的关键组成部分,具有多种生物活动.
来自金胺的希夫基因因因其潜在的治疗应用而引起兴趣.

研究的目的:

为了合成新型的胺基衍生的希夫基.
通过分子对接来评估它们潜在的抗菌,抗氧化,抗真菌和抗癌活性.
描述合成的化合物并确认它们的结构.

主要方法:

希夫基合成的冷凝反应.
分子对抗拓酶IIDNA旋转酶,人类造血细胞激酶,尿酸氧化酶和循环素依赖激酶的分子对接 8.
使用NMR,IR,元素分析,DSC,TGA和X射线晶体学进行表征.

主要成果:

已经成功合成了六个由胺基衍生的希夫基.
所有化合物都表现出显著的结合亲和力,在对接研究中表现优于标准药物.
胺衍生的希夫基5在所有测试活动中显示出特别有前途的结果.

结论:

合成的Pyrimidine Schiff基具有作为抗菌,抗氧化,抗真菌和抗癌剂的显著潜力.
计算对接验证了它们的有效性,并表明它们与目标酶的良好相互作用.
胺衍生的希夫基5是进一步药物开发的有希望的候选者.

关键词:

这是一种抗癌药物.生物信息学是一种生物信息学.分子对接是分子对接.皮里米丁是什么皮里米丁是什么船舶基地是船舶的基地.热分析是一种热分析.

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