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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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نویسنده
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sagar vijay kumar p. ,suresh l. ,chandramouli g.v.p.
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منبع
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journal of saudi chemical society - 2017 - دوره : 21 - شماره : 3 - صفحه:306 -314
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چکیده
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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]bf4 via 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. © 2015 king saud university
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کلیدواژه
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ADMET properties; Ionic liquid; Molecular docking; Multi-component reaction
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آدرس
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department of chemistry,national institute of technology,warangal, India, department of chemistry,national institute of technology,warangal, India, department of chemistry,national institute of technology,warangal, India
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Authors
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