Abstract

Synthesis and molecular docking of terephthalic dihydrazide from poly(ethylene terepthalate) for antimicrobial activity and biochemical changes

Author(s): Ranu Agrawal, Rakesh Kumar Soni and Nazia Tarannum

The increasing use and generation of solid plastic wastes have imposed challenges of their disposal for the society. Thereby, the recycling and treatment of solid plastic waste to ecofriendly compound may help in sustaining and integrating the wastes for useful purpose. Herein, this paper the aminolysis of poly(ethylene terphthalate) (PET) is being carried out in presence of excess of hydrazine monohydrate to form terphthalic dihydrazide (TDH). The characterization and structural confirmation was done by FTIR, NMR, UV and thermal analysis. The derivatives of amide are related with broad spectrum biological activities including antimicrobial activities. This aromatic amide was further analysed for antifungal property by well diffusion method viz., MIC (minimum inhibitory concentration), zone of inhibition and biochemical changes. The synthesized aromatic amide showed broad spectrum antifungal property. The amide derivative was proposed as an inhibitor of Cytochrome P450- 14DM14, a-demethylase from Aspergillus niger and S12 protein of ribosomal subunit from Escherichia coli. Drug-likeness and hidden potential of compound and descriptors related to ADMET were deliberated to foresee pharmacokinetic properties of the molecule. Thereby molecular docking data study helped in evaluating probable mode of action of molecules in active site of receptor.

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