当前位置: X-MOL 学术ChemistrySelect › 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.)
Synthesis and Molecular Modeling Studies of Coumarin‐ and 1‐Aza‐Coumarin‐Linked Miconazole Analogues and Their Antifungal Activity
ChemistrySelect ( IF 1.9 ) Pub Date : 2018-09-05 , DOI: 10.1002/slct.201801408
Hemantkumar M. Savanur 1 , Geeta M. Pawashe 1 , Kang Min Kim 2 , Rajesh G. Kalkhambkar 1
Affiliation  

A series of new coumarin and 1‐aza coumarin analogues of miconazole (6 a‐j) were synthesized from 3‐bromoacetyl coumarins. Further diversification was achieved by synthesizing coumarin‐benzimidazole hybrids of miconazole (7 a‐j) and evaluated for in‐vitro anti‐microbial activities. Amongst the tested compounds, 7 d was found to be particularly effective as anti‐fungal agents against C. albicans and C. krusei, with activity comparable to that of the standard. Comparative Docking studies with mevalonate‐5‐diphosphatedecarboxylase shows better binding affinity than imidazole counterparts which is primarily attributed to extended π‐alkyl interactions facilitated by benzimidazole.

中文翻译:

香豆素和1-氮杂-香豆素连接的咪康唑类似物的合成和分子建模研究及其抗真菌活性

从3-溴乙酰香豆素合成了一系列新的咪康唑香豆素和1-氮杂香豆素类似物(6 a-j)。通过合成咪康唑的香豆素-苯并咪唑杂化物(7 a-j)并评估其体外抗微生物活性,实现了进一步的多样化。在测试的化合物中,发现7 d作为对抗白色念珠菌克鲁斯梭菌的抗真菌剂特别有效其活性与标准品相当。用甲羟戊酸-5二磷酸脱羧酶进行的对接比较研究显示,其结合亲和力优于咪唑对应物,这主要归因于苯并咪唑促进了扩展的π-烷基相互作用。
更新日期:2018-09-05
down
wechat
bug