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Synthesis, in vitro biological evaluation and molecular docking study of coumarin-1,4-dihydropyridine derivatives as potent anti-inflammatory agents
Indian Journal of Chemistry, Section B ( IF 0.456 ) Pub Date : 2021-03-03
Jyoti M Madar, Lokesh A Shastri, Samundeeswari L Shastri, Megharaja Holiyachi, Nirmala S Naik, Parashuram Gudimani, Varsha Pawar, Arun K Shettar, Shrinivas D Joshi, Vinay A Sungar

The green chemistry approach provides for the synthesis of coumarin-1,4-dihydropyridine scaffolds 6a-o via sequential multicomponent reaction using catalytic amount of triethylamine (TEA). These new coumarin scaffolds have been successfully explored for the effective inflammatory as well as microbial infection inhibitors. The antimicrobial activity results of the title compounds have shown potent activity against both gram positive and gram negative bacterial, and fungal stains. Additionally, anti-inflammatory activity of all the compounds has been found to be quite promising in comparison with standard Diclofenac sodium. Furthermore, the in silico docking study has been performed for all the compounds with S. aureus DNA gyrase and cyclooxygenase-2 (PDB ID 4PH9). The computational results are in good agreement with the in vitro antibacterial and anti-inflammatory experimental results.

中文翻译:

香豆素-1,4-二氢吡啶衍生物作为强效抗炎剂的合成,体外生物学评价和分子对接研究

绿色化学方法通过使用催化量的三乙胺(TEA)的连续多组分反应,提供了香豆素-1,4-二氢吡啶支架6a-o 的合成。这些新的香豆素支架已经成功地探索出有效的炎症和微生物感染抑制剂。标题化合物的抗菌活性结果显示出对革兰氏阳性和革兰氏阴性细菌以及真菌污渍的有效活性。另外,已经发现与标准双氯芬酸钠相比,所有化合物的抗炎活性都非常有前途。此外,已经对所有与金黄色葡萄球菌的化合物进行了计算机对接研究DNA促旋酶和环氧合酶2(PDB ID 4PH9)。计算结果与体外抗菌消炎实验结果吻合良好。
更新日期:2021-03-03
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