Examination of anti-oxidant properties and molecular docking parameters of some compounds in human body

Year 2020, Volume: 4 Issue: 2, 76 - 87, 15.12.2020

Burak Tüzün

https://doi.org/10.33435/tcandtc.781008

Cited By: 15

Abstract

There are many hormones and molecules in the human body. Many of these take place in different jobs and tasks. Some of these hormones are serotonin (A1), testosterone (A2), dopamine (A3), adrenaline (A4), methylcytosine (A5) and creatine (A6). The anti-oxidant properties of these molecules in both gas and water phases of the HF/6-31g(d,p) basis set were calculated with the Gaussian package program. After this process, molecular docking calculations were made to compare the activities of molecules against proteins with anti-oxidant properties whose name are human peroxiredoxin-5 (HP5) and bovine xanthine oxidase (BXO), were compared.

Keywords

antioxidant, molecular docking, DFT, human body, hormone

Project Number

RGD-020

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