Catalytic synthesis, in-vitro anti-inflammatory activity, and molecular docking studies of novel hydrazone derivatives bearing N and S-heterocycles

Abstract

An easy ZnO-TiS2 synthesis is described by a room temperature co-precipitation method. EDX, SEM, TEM methods were the main characteristics of the prepared nanocatalyst. For easy, efficient and green hydrazone, derivatives (5a-c) synthesis under the reflux temperature conditions, several factors such as the effect of molar ratios, catalyst loading, reaction time and the effect of solvent were investigated. The influence of catalyst loading on reactivity was studied, which resulted in an optimum catalyst load of 12 mol percent, giving the best return with a minimum of time compared with other catalysts. In this report, a fast and cost -effective synthesis of nanocatalysts and its diverse uses for hydrazone derivatives synthesis is reported. The analytical and spectral data of the synthesized hydrazone compounds have been characterized. The in vitro anti - inflammatory activities have been examined with the HRBC method for all the synthesized compounds. The anti - inflammatory activity was high in all compounds; compound 5a, in particular, produced a better effect, i.e. an IC50 value 165.7 similar to regular diclofenac. All the synthesized hydrazone derivatives were also studied through docking analysis for their interactions with COX-I enzymes. The binding affinities of each compound with the enzyme were good for the maximum value of −10 kcal/mol for 5c against COX-I.