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 (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%).

KEYWORDS:

• Neuraminindase
• green chemistry
• molecular docking
• heterocycles
• chalcones
• aurones

Disclosure statement

No potential conflict of interest was reported by the author(s).

Availability of data and materials

All the data used to support the findings of this study are included in the article, and supplementary information is provided in the supplementary section.

Supplementary material

Supplemental data for this article can be accessed at: https://doi.org/10.1080/1062936X.2022.2087733

Additional information

Funding

The author(s) reported that there is no funding associated with the work featured in this article.