Environmentally friendly synthesis and computational studies of novel class of acridinedione integrated spirothiopyrrolizidines/indolizidines
نویسندگان
چکیده
Abstract An efficient and environmentally benign synthesis of a new class acridinedione embedded spirooxindolo/acenaphthenothiopyrrolizidines spirooxindolo/acenathenoindolizidines has been synthesized in good to excellent yields employing ionic liquid accelerated one-pot [3 + 2]-cycloaddition strategy. The pre-requisite starting substrates, O -acryloyl acridinediones were prepared from dimedone three yielding steps, while the 1,3-dipole was derived situ isatin/acenaphthenequinone thiazolidine-4-carboxylc acid/ l -pipecolinic acid via decarboxylative condensation. cycloadduct possesses stereogenic carbons, one which is spiro carbon through formation two C–C C–N bonds synthetic transformation. Geometrical parameters compounds calculated using B3LYP/6-311g(d,p) level theory. activity these molecules evaluated against main protease COVID-19 screen them for their inhibitor efficiency. In order get broad understanding interactions ligands, detailed molecular docking analysis performed. Molecular shows that compound 8b highest binding affinity toward protein. can be potential candidate treatment COVID-19.
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ژورنال
عنوان ژورنال: Green Processing and Synthesis
سال: 2023
ISSN: ['2191-9542', '2191-9550']
DOI: https://doi.org/10.1515/gps-2023-0036