Toxicity, structural analysis, and molecular docking studies of selected isonicotinohydrazide analogs

The isonicotinohydrazide moiety is a common structural motif of the biologically active compounds with pronounced therapeutic effects. Four isonicotinohydrazide analogs were investigated to elucidate the importance of various substituents on the predicted biological activity. The structures of these compounds were optimized at the M06-2X16-311++G(d, p) level of theory based on the crystallographic...