Abstract

In an attempt to develop synergetic, potential and selective anti-oxidant agents, a series of novel piperazine bridged pseudo-peptidic urea/thiourea derivatives (5a-x) are designed by molecular docking study, synthesized and evaluated for their in-vitro anti-oxidant activity using 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid) (ABTS) and dimethyl-4-phenylenediamine (DMPD) methods. The results revealed that compounds 5q, 5s, 5w and 5x are good anti-oxidant agents. Amongst, compounds with aromatic side chain, thioureal fragment with electron donating group-substitution, particularly, 5s and 5w are the most active members exhibiting remarkable anti-oxidant property. The docking results are complementary to the experimental results. The correlation study revealed that compounds derived from phenylalanine and tryptophan containing electron donating group are excellent antioxidants.

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