An insight into the potent antioxidant activity of a dithiocarbohydrazone appended cis‐dioxidomolybdenum (VI) complexes

Abstract

In search of antioxidants with enriched potency, the present study focus on the design and synthesis of a dithiocarbohydrazone, H3TCL derived from thiocarbohydrazide and 3‐ethoxysalicylaldehyde and its coordination complexes with molybdenum, viz, [MoO2(HTCL)D] (1–2) (where D = methanol (1), DMSO (2)) and [MoO2(HTCL)D]·DMF (where D = H2O (3)). The synthesized compounds were characterised by elemental analysis, spectroscopic techniques (FT‐IR, UV–vis and 1H‐NMR), conductivity measurements and cyclic voltammetry. Moreover the solid state structures of all the three complexes were established by single crystal X‐ray diffraction analysis as mononuclear neutral species in which the molybdenum centre assumes a distorted octahedral geometry. The dithiocarbohydrazone binds to the molybdenum centre through its phenolate oxygen, O(1), azomethine nitrogen, N(1) and thioenolate sulfur, S(1) in a dianionic tridentate mode. The assessment of intermolecular contacts in the crystal arrangement was quantified using Hirshfeld surface analysis. Further the antioxidant potential of the dithiocarbohydrazone, H3TCL and its molybdenum complexes 1–3 were evaluated using 1,1‐diphenyl‐2‐picrylhydrazyl(DPPH), 2,2′‐azinobis‐3‐ethylbenzothiazoline‐6‐sulfonic acid (ABTS) and total antioxidant assays. The antioxidant activities were then compared with standard antioxidant, L‐ascorbic acid. The antioxidant potential of the synthesized compounds were then validated by molecular docking studies. Molecular modelling study was achieved to evaluate the recognition of target compound at the binding pocket of the human antioxidant enzyme, 3MNG. The docking results showed that the complexes selectively bond to the vital amino acids present in the binding pocket of the target enzyme, 3MNG.

Synthesis, Spectral Characterization, Crystal Structure, and Antioxidant Properties of novel Palladium(II) Complex from ONS Donor 1,5-bis(2-hydroxybenzylidene)thiocarbohydrazone

“…This impacts the antioxidant activity of the tested compounds. The NH group in the thiocarbohydrazone also contributes to antioxidant activity (59). So, we can say that the decrease in the number of OH and NH groups in the free thiocarbohydrazone by complexation is the reason why the TEAC value and % radical scavenging activity of [Pd(PPh3)(L)] are lower than that of free thiocarbohydrazone.…”

A New Nickel(II) Complex Derived From Bisthiocarbohydrazone: Synthesis, Characterization, Crystal Structure and Antioxidant Activity

“…The free radical scavenging activity (Table 5) of [Ni(L)(PPh 3 )] is also lower than that of L, which is parallel with the antioxidant capacity results. The position and number of OH groups and the contribution of NH groups are factors that affect the antioxidant activity of thiocarbohydrazone [38,39]. Therefore, we can say that the decrease in the number of OH and NH groups in L by complexation is the reason why the antioxidant activity of [Ni(L)(PPh3)] is lower than that of L.…”

New mixed‐ligand iron(III) complexes containing thiocarbohydrazones: Preparation, characterization, and chemical reactivity analysis through theoretical calculations

“…The presence of additional coordination sites on lateral substituents can alter stoichiometry and binding. [16][17][18] Fe(III) complexes have good antibacterial activity against a wide range of bacteria. [19][20][21][22] At the same time, iron(III) metal ions play a vital role in biological processes.…”

“…The presence of additional coordination sites on lateral substituents can alter stoichiometry and binding. [ 16–18 ]…”