Ionic liquid catalysed multicomponent synthesis, antifungal activity, docking studies and in silico ADMET properties of novel fused chromeno-pyrazolo-phthalazine derivatives
Joint Authors
Kumar, P. Sagar Vijay
Suresh, L.
Chandramouli, G. V. P.
Source
Journal of Saudi Chemical Society
Issue
Vol. 21, Issue 3 (31 Mar. 2017), pp.306-314, 9 p.
Publisher
Publication Date
2017-03-31
Country of Publication
Saudi Arabia
No. of Pages
9
Main Subjects
Abstract EN
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
American Psychological Association (APA)
Kumar, P. Sagar Vijay& Suresh, L.& Chandramouli, G. V. P.. 2017. Ionic liquid catalysed multicomponent synthesis, antifungal activity, docking studies and in silico ADMET properties of novel fused chromeno-pyrazolo-phthalazine derivatives. Journal of Saudi Chemical Society،Vol. 21, no. 3, pp.306-314.
https://search.emarefa.net/detail/BIM-757211
Modern Language Association (MLA)
Kumar, P. Sagar Vijay…[et al.]. Ionic liquid catalysed multicomponent synthesis, antifungal activity, docking studies and in silico ADMET properties of novel fused chromeno-pyrazolo-phthalazine derivatives. Journal of Saudi Chemical Society Vol. 21, no. 3 (Mar. 2017), pp.306-314.
https://search.emarefa.net/detail/BIM-757211
American Medical Association (AMA)
Kumar, P. Sagar Vijay& Suresh, L.& Chandramouli, G. V. P.. Ionic liquid catalysed multicomponent synthesis, antifungal activity, docking studies and in silico ADMET properties of novel fused chromeno-pyrazolo-phthalazine derivatives. Journal of Saudi Chemical Society. 2017. Vol. 21, no. 3, pp.306-314.
https://search.emarefa.net/detail/BIM-757211
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 313-314
Record ID
BIM-757211