Synthesis, biological evaluation and In silico studies of novel N-(4-(2-(2-cyano-3-(4-substituted phenyl)acryloyl)hydrazine-1-carbonyl)phenyl)-2-(4-isobutylphenyl)propanamides.

Abstract

In the present study novel N-(4-(2-(2-cyano-3-(4-substituted phenyl)acryloyl)hydrazine-1-carbonyl)phenyl)-2-(4-isobutylphenyl)propanamides were synthesized and characterized by IR,¹H, ¹³C and Mass data. In vitro antioxidant and antiinflammatory activities were evaluated for the synthesized compounds (5, 6a-6i). The molecular properties, antiinflammatory potential and toxicity profile for the synthesized compounds were predicted by In silico tools such as Molinspiration, PASS analysis and Osiris property explorer respectively. Compounds 6b (4-OH), 6d (4-OCH₃), and 6e (3,4-di-OCH₃) emerged as the most promising candidates for further development based on the in vitro evaluation.