- Turkish Computational and Theoretical Chemistry
- Vol: 4 Issue: 2
- Examination of anti-oxidant properties and molecular docking parameters of some compounds in human b...
Examination of anti-oxidant properties and molecular docking parameters of some compounds in human body
Authors : Burak Tüzün
Pages : 76-87
Doi:10.33435/tcandtc.781008
View : 12 | Download : 7
Publication Date : 2020-12-15
Article Type : Research
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