Hydrazine-derived salts: Unveiling their diverse potential through synthesis, characterization, pharmacology, and theoretical analysis

Abstract

This study focuses on newly synthesized compounds derived from hydrazine derivatives, specifically methyl carbazate (MCZ, C2H6N2O2) and 2-thiobarbituric acid (2-TBA, C4H4N2O2S). The reaction between MCZ and 2-TBA resulted in the formation of three types of salts with the following compositions: [(C2H7N2O2)+(C4H3N2O2S)−(1), (C2H7N2O2)+(C4H3N2O2S)−(C2H6N2O2) (2), and (C2H7N2O2)+(C6H16N)+(C4H3N2O2S)2−(3) [(C6H16N)+ represents the triethyl ammonium cation]. The prepared salts were comprehensively characterized, showing that compound (3) exhibited a monoclinic crystal structure and met Lipinski’s rules, indicating significant drug-like properties. Molecular docking analysis revealed that these compounds exhibited strong binding affinities toward bacterial proteins, particularly Staphylococcus aureus and Escherichia coli, indicating their potential as antibacterial agents. The synthesized compounds demonstrated remarkable free radical-scavenging abilities, as evidenced by DPPH assays. The results of pharmacological evaluations, including brine shrimp lethality assays, antibacterial tests, and anticancer studies on MCF-7 cell lines, revealed that the compounds exhibit highly significant activities, particularly cytotoxic effects, suggesting their potential as anticancer agents. The compound (3) emerged as the most effective anticancer agent against MCF-7 cells. These findings underscore the broad potential of these compounds, especially (3), as promising agents with significant antibacterial, antioxidant, and anticancer activities, suggesting that they may contribute to the field of medicinal chemistry with implications for therapeutic applications.