Green synthesis of 2-benzylidene-1-benzofuran-3-ones and in vitro neuraminidase study using molecular docking.

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 (73; 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%).