One-pot three-component1,3-dipolarcycloaddition ofazomethineylidesto nitrofuran containing acetylenic ketones and molecular docking studies of the cycloadducts

Kadambar, Anish Kumar and Kalluraya, Balakrishna and Kumar, S. Madan (2020) One-pot three-component1,3-dipolarcycloaddition ofazomethineylidesto nitrofuran containing acetylenic ketones and molecular docking studies of the cycloadducts. Journal of Heterocyclic Chemistry, 57 (11). pp. 3845-3855. ISSN 1943-5193

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Abstract

One-pot three-component 1,3-dipolar cycloaddition reaction of azomethineylides generated from various combinations of isatin and ninhydrin with alpha-aminoacids to 5-nitrofurancontaining acetylenic ketones was carried out under thermal and microwave methods. The study of the regiochemical trend during the cycloaddition suggested that the nitrofuran ring exert no effect on the regiochemistry of the reaction as observed in the case of nitrofuran containing chalcones. The reason for the nil influence of the nitrofuran group is attributed to the increased electron density due to the triple bond. The newly synthesized compounds were docked to the active site of human anaplastic lymphoma kinase (ALK) to know the cancer cell toxicity in silico. The compounds4band5ashowed good binding interactions with the target in the active site.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Institution of Excellence
Depositing User: Mr Umendra uom
Date Deposited: 09 Mar 2021 06:33
Last Modified: 09 Mar 2021 06:33
URI: http://eprints.uni-mysore.ac.in/id/eprint/15515

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