Green synthesis of 2-benzylidene-1-benzofuran-3-ones and in vitro neuraminidase study using molecular docking. Issue 7 (3rd July 2022)

• Record Type: Journal Article
• Authors: Devi, A.P.; Dhingra, N.; Chundawat, R.S.; Ameta, K.L.
• Is Part Of: SAR and QSAR in environmental research. Volume 33:Issue 7(2022)
• Page Start: 499
• Page End: 512
• Publication Date: 2022-07-03
• Subjects: Neuraminindase -- green chemistry -- molecular docking -- heterocycles -- chalcones -- aurones; Structure-activity relationships (Biochemistry) -- Periodicals; QSAR (Biochemistry) -- Periodicals; 572.4
• DOI: 10.1080/1062936X.2022.2087733
• Languages: English
• ISSNs: 1062-936X

Abstract

ABSTRACT: An improved and green method has been developed for the synthesis of substituted 2-benzylidene-1-benzofuran-3-ones by treating 2-hydroxychalcones with CuBr2 in DMF–water mixture (7:3; v/v) using grinding methodology. Molecular docking and in vitro studies were also carried out, and it was revealed that compound #4h binds with the active amino Glu-277, Try-406 and Arg-152 of neuraminidase against influenza virus. Compound 4h exerts best inhibition activity (13 ± 1.8%) which was found similar to oseltamivir (12 ± 0.89%).