Design, Synthesis, Antioxidant, Anti-inflammatory Activity and Molecular Docking Studies of Novel 3,4,5-Trisubstituted-1,2,4-Triazole Derivatives Bearing Benzimidazole Moiety

Abstract

: 5-(7-Methyl-2-propyl-1H-benzo[d]imidazol-5-yl)-4-phenyl-4H-1,2,4-triazole-3-thiols(6a-i) have been synthesized from key intermediate 7-methyl-2-propyl-1H-benzo[d]imidazole-5-carbohydrazide(3). The hydrazide was treated with different aryl isothiocyanatesto give corresponding thiosemicarbazone derivatives, which underwent cyclization in 4N sodium hydroxide to affordcorresponding title compound. All the compounds evaluated for their in vitro antioxidant and in vivo anti-inflammatory activity. From the results, compounds 6b and 6e have shown potential antioxidant and anti-inflammatory activity. The biological data was further supported by molecular docking studies, which revealed the binding pattern and the affinity of the molecules in the active site of COX-2.

Novel Dioxolane Ring Compounds for the Management of Phytopathogen Diseases as Ergosterol Biosynthesis Inhibitors: Synthesis, Biological Activities, and Molecular Docking

“…13,14 After some triazole fungicides are used, plants cannot synthesize auxin and gibberellin (GA), thereby inhibiting plant growth. 15 On the other hand, 1,2,4-triazole derivatives represent attractive agents for synthetic optimization studies with a wide range of biological activities such as herbicidal, 16 antiproliferative, 17,18 antimicrobial, 19,20 anticancer, 21 analgesic, 22 antioxidant, 23,24 antimalarial, 25 and anticoronavirus activities. 26 Triazole fungicides are sterol biosynthesis C-14 demethylase inhibitors (DMI), 27 which have an inhibitory effect on ergosterol biosynthesis in plants and fungi.…”

“…Triazole fungicides have high activity, broad spectrum, strong systemic conductivity, and adequate half-lives. , Most triazole fungicides can prevent diseases , and regulate plant growth. , After some triazole fungicides are used, plants cannot synthesize auxin and gibberellin (GA), thereby inhibiting plant growth . On the other hand, 1,2,4-triazole derivatives represent attractive agents for synthetic optimization studies with a wide range of biological activities such as herbicidal, antiproliferative, , antimicrobial, , anticancer, analgesic, antioxidant, , antimalarial, and anticoronavirus activities …”