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

<p>A highly efficient, green, one-pot, four-component approach for the synthesis of benzylpyrazolyl naphthoquinone derivatives (<b>5a–p</b>) 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 <b>5a, 5b</b>, and <b>5g</b> into the anaplastic lymphoma kinase (ALK) structure active site to determine the probable binding model.</p>