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Structure and Mechanisms of Trichostatin A Drug Adsorption on Graphene Oxide: Density Functional Theory Approach by Azadeh Ghanbari; S. Ali Beyramabadi; Razieh Sanavi Khoshnood; Zarrin Es’haghi is a Chemistry article available to read on EtoBox.

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Due to the unique physiological properties of the graphene-oxide (GO) such as excellent solubility, high area and low toxicity have been widely studied in many fields. In this study, adsorption mechanisms of the Trichostatin A (TSA) drug on the GO have been investigated. Electronic energies and structural properties are investigated intimately in an aqueous solution at M06-2X/6-31G(d,p) level of theory. Five different configurations of adsorption of the TSA on the GO have been studied. It has been concluded that the epoxy and hydroxyl groups are the two dominant groups that play a crucial role in adsorption of the TSA drug. The best interaction mode between the TSA and the GO was determined.

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Author

Azadeh Ghanbari; S. Ali Beyramabadi; Razieh Sanavi Khoshnood; Zarrin Es’haghi

Publisher

Pleiades Publishing Ltd

Published

2022

Language

EN

Field

Chemistry (Physical Sciences)