کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
4909341 | 1362616 | 2017 | 26 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Ionic liquid catalysed multicomponent synthesis, antifungal activity, docking studies and in silico ADMET properties of novel fused Chromeno-Pyrazolo-Phthalazine derivatives
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
مهندسی شیمی (عمومی)
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چکیده انگلیسی
A series of novel chromeno-pyrazolo[1,2-b]phthalazine-6,9,14(7H)-trione derivatives (4a-k) were designed and prepared using a reusable and efficient catalyst ionic liquid [Bmim]BF4via one-pot multi-component reaction. Their bioactivity was evaluated against Aspergillus niger and Candida albicans in vitro. Compound 4f was found to be the most effective compared to all other synthesised compounds. To validate experimental biological data obtained, molecular docking study was carried out. It was observed that compound 4f showed stronger binding interactions with secreted aspartic proteinase (SAP) of C. albicans (1EAG). Further, primary optimisation of drug-like properties was studied through in silico predictions by using ADMET predictor FAFdrug2 and OSIRIS property explorer.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Saudi Chemical Society - Volume 21, Issue 3, March 2017, Pages 306-314
Journal: Journal of Saudi Chemical Society - Volume 21, Issue 3, March 2017, Pages 306-314
نویسندگان
P. Sagar Vijay Kumar, L. Suresh, G.V.P. Chandramouli,