Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

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Abstract

Synthesis, Antimicrobial Activity and Molecular Modelling of Aminolysed Derivative of Poly(ethyleneterephthalate)

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

The increasing demand and use of Poly(ethylene terephthalate) (PET) in different applications have led to serious concern for our environment. Poly(ethylene terephthalate) has to be recycled to compounds of significant importance by chemical or mechanical method to reduce the hazards created by this non-biodegradable waste. In this report, we have prepared bis(2-aminoethyl terephthalamide) (BAET) from aminolysis of PET in presence of ethylene diamine. The basic characterization of the compound was done by using FTIR, UV-visible spectroscopy, NMR and thermal analysis studies. In addition to this, the antimicrobial approach of the compounds obtained through recycled PET was examined which showed broad spectrum antibacterial and anti-fungal property. The present study also includes molecular docking of synthesized compound with the target protein GlcN-6-P synthase which explains a promising activity of this compound as an antimicrobial agent. In silico study reveals that BAET had high affinity towards the target protein by showing good binding energy ranging between -8.55 to -7.45 kcal/mol-1. Compound BAET has very closed interactions with target protein's Cys300, Gly301, Ser303, Leu601, Glu488, Ser349, Ser347, Gln348, Lys603, Ser401, Ala400, Leu601 and Glu488.


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