One-pot, four-component synthesis of benzylpyrazolyl naphthoquinone derivatives and molecular docking studies

ABSTRACT

A highly efficient, green, one-pot, four-component approach for the synthesis of benzylpyrazolyl naphthoquinone derivatives (5a–p) have been developed by the domino reaction of 2-hydroxy naphthoquinone, aromatic aldehyde, ethyl acetoacetate, and phenyl hydrazine derivatives in water and employed p-toluene sulfonic acid (p-TSA) as the right choice of catalyst at reflux. Docking simulation was performed to position compounds 5a, 5b, and 5g into the anaplastic lymphoma kinase (ALK) structure active site to determine the probable binding model.

GRAPHICAL ABSTRACT

KEYWORDS:

• 2-Hydroxy naphthoquinone
• molecular docking
• one-pot synthesis