新型喹诺里定基-2,4-噻唑烷二酮的简便无溶剂多米诺合成：抗真菌活性及分子对接
Facile and Solvent-free Domino Synthesis of New Quinolidinyl-2,4- thiazolidinones: Antifungal Activity and Molecular Docking.
作者信息
Subhedar Dnyaneshwar D, Shaikh Mubarak H, Tupe Santosh G, Deshpande Mukund V, Khedkar Vijay M, Jha Prakash C, Shingate Bapurao B
机构信息
Department of Chemistry, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, 431004, India.
Biochemical Sciences Division, CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pune, 411 008, India.
出版信息
Mini Rev Med Chem. 2018;18(7):622-630. doi: 10.2174/1389557516666161226161152.
OBJECTIVE
We have synthesized new quinolidinyl-thiazolidinones via Knoevenagel condensation- alkylation reaction, catalyzed by [Et3NH][HSO4]. The present approach offers several advantages such as higher yields, eco-friendly reaction condition and economic availability of the catalyst.
METHOD
The newly synthesized compounds were evaluated for their in vitro antifungal activity against six fungal strains. Some of the synthesized conjugates displayed good to moderate antifungal activity.
CONCLUSION
Again, the molecular docking study performed against the fungal sterol 14α-demethylase (CYP51) showed an excellent binding affinity towards the enzyme which could rationalize the promising antifungal activity portrayed by these derivatives and provides a platform for structure based drug design.
目的
我们通过[Et3NH][HSO4]催化的Knoevenagel缩合-烷基化反应合成了新型喹诺里定基-噻唑烷酮。本方法具有产率更高、反应条件环保以及催化剂经济易得等优点。
方法
对新合成的化合物进行了针对六种真菌菌株的体外抗真菌活性评估。一些合成的共轭物表现出良好至中等的抗真菌活性。
结论
同样，针对真菌甾醇14α-脱甲基酶（CYP51）进行的分子对接研究表明，这些衍生物对该酶具有出色的结合亲和力，这可以解释这些衍生物所表现出的有前景的抗真菌活性，并为基于结构的药物设计提供了一个平台。
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