Molecular docking and biological assessment of substituted phthalazin-1(2H)-one derivatives

Article abstract of DOI:10.1002/jhet.3913

2, 4-Disubstituted phthalazin-1(2H)-one derivatives were synthesized via nucleophilic attack of N-2 of phthalazin-1(2H)-one derivatives on different alkyl halides. In addition, reactive phthalazinone acetohydrazide derivative was utilized as a scaffold to synthesize different heterocyclic systems. The assigned structures for all the newly synthesized derivatives were confirmed on the basis of elemental analyses and spectral data. Mechanistic illustrations for some of the synthesized compounds were also discussed. The synthesized compounds were evaluated for in vitro antimicrobial and antitumor activity. Most of the tested compounds exhibited significant potency as antimicrobial and antitumor agents. Moreover, MOE 2014.09 software was utilized to carry out computational studies to support the biological activity results.