当前位置: X-MOL 学术Sustain. Chem. Pharm. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Biologically active dihydropyridines: An efficient green synthesis, antimicrobial properties, machine aided results and SARs
Sustainable Chemistry and Pharmacy ( IF 6 ) Pub Date : 2020-08-30 , DOI: 10.1016/j.scp.2020.100303
Guda Mallikarjuna Reddy , Alexandre Camilo

In the present study, by using green solvent and ecofriendly catalyst, a series of dihydropyridine and their analogs were synthesized. The total synthetic path proceeded under ecofriendly environment and a reusable heterogeneous catalyst was utilized, consequently, products formed with good yield. The prepared compounds examined using proton NMR, carbon NMR and mass spectroscopies studies. In addition, all final moieties were screened for their microbial resistance properties against four bacterial pathogens and two fungi. Most of the products demonstrated higher to moderate antimicrobial actions. Compounds 5e and 5n were noted the prominent microbial remedial behavior. Further, compounds electronic parameters such as HOMO energy, LUMO energy, their energy gap and other were calculated to investigate any structure activity relationships (SARs). There was some correlation existed between the simulations results and biological results. From SARs, the high LUMO energy value contained compound showed high antimicrobial property vice versa. Thus, the synthetic method in this research may judge as a model for further environmentally benign reactions and existed biological consequences stands for additional studies interrelated to biotic drugs. On the other hand, simulation results also an important descriptor to support the biological experiments.



中文翻译:

具有生物活性的二氢吡啶类化合物:高效的绿色合成,抗菌性能,机械辅助结果和SAR

在本研究中,通过使用绿色溶剂和环保催化剂,合成了一系列的二氢吡啶及其类似物。总的合成路线是在环境友好的环境下进行的,并且使用了可重复使用的非均相催化剂,因此形成的产品收率高。使用质子NMR,碳NMR和质谱研究检查制备的化合物。另外,筛选所有最终部分对四种细菌病原体和两种真菌的微生物抗性。大多数产品表现出较高至中等的抗菌作用。化合物5e5n注意到了显着的微生物修复行为。此外,还计算了化合物电子参数(例如HOMO能量,LUMO能量,它们的能隙等)以研究任何结构活性关系(SAR)。模拟结果与生物学结果之间存在一定的相关性。从SARs来看,高LUMO能量值的化合物显示出高抗菌性能,反之亦然。因此,本研究中的合成方法可以判断为进一步的环境良性反应的模型,并且存在的生物学后果代表了与生物药物相关的其他研究。另一方面,模拟结果也是支持生物学实验的重要描述。

更新日期:2020-08-31
down
wechat
bug