Research Article
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Year 2020, Volume: 4 Issue: 2, 76 - 87, 15.12.2020
https://doi.org/10.33435/tcandtc.781008

Abstract

Supporting Institution

Sivas Cumhuriyet University

Project Number

RGD-020

References

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

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.

Project Number

RGD-020

References

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  • S. Ghosh, M.D. Sarma, A. Patra, and B. Hazra, Anti‐inflammatory and anticancer compounds isolated from Ventilago madraspatana Gaertn., Rubia cordifolia Linn. and Lantana camara Linn. Journal of pharmacy and pharmacology, 62(9) (2010) 1158-1166.
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  • D. Kremer, I. Kosalec, M. Locatelli, F. Epifano, S. Genovese, G. Carlucci, and M.Z. Konˇci´c, Anthraquinone profiles, antioxidant and antimicrobial properties of Frangula rupestris (Scop.) Schur and Frangula alnus Mill. bark. Food Chemistry, 131(4) (2012) 1174-1180.
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  • Z. Marković, S. Jeremić, J.D. Marković, M.S. Pirković, D. Amić, Influence of structural characteristics of substituents on the antioxidant activity of some anthraquinone derivatives. Computational and Theoretical Chemistry, 1077 (2016) 25-31.
  • S. Sari, B. Barut, A. Özel, D. Şöhretoğlu, Tyrosinase inhibitory effects of Vinca major and its secondary metabolites: Enzyme kinetics and in silico inhibition model of the metabolites validated by pharmacophore modelling. Bioorganic chemistry, 92 (2019) 103259.
  • E. Koç, A. Üngördü, F. Candan, Antioxidant properties of methanolic extract of ‘Veronica multifida’and DFT and HF analyses of its the major flavonoid component. Journal of Molecular Structure, 1197 (2019) 436-442.
  • A. Urbaniak, M. Szeląg, M. Molski, Theoretical investigation of stereochemistry and solvent influence on antioxidant activity of ferulic acid. Computational and Theoretical Chemistry, 1012 (2013) 33-40.
  • R. Kheirabadi, M. Izadyar, Antioxidant activity of selenenamide-based mimic as a function of the aromatic thiols nucleophilicity, a DFT-SAPE model. Computational biology and chemistry, 75(2018) 213-221.
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There are 68 citations in total.

Details

Primary Language English
Subjects Chemical Engineering
Journal Section Research Article
Authors

Burak Tüzün

Project Number RGD-020
Publication Date December 15, 2020
Submission Date August 15, 2020
Published in Issue Year 2020 Volume: 4 Issue: 2

Cite

APA Tüzün, B. (2020). Examination of anti-oxidant properties and molecular docking parameters of some compounds in human body. Turkish Computational and Theoretical Chemistry, 4(2), 76-87. https://doi.org/10.33435/tcandtc.781008
AMA Tüzün B. Examination of anti-oxidant properties and molecular docking parameters of some compounds in human body. Turkish Comp Theo Chem (TC&TC). December 2020;4(2):76-87. doi:10.33435/tcandtc.781008
Chicago Tüzün, Burak. “Examination of Anti-Oxidant Properties and Molecular Docking Parameters of Some Compounds in Human Body”. Turkish Computational and Theoretical Chemistry 4, no. 2 (December 2020): 76-87. https://doi.org/10.33435/tcandtc.781008.
EndNote Tüzün B (December 1, 2020) Examination of anti-oxidant properties and molecular docking parameters of some compounds in human body. Turkish Computational and Theoretical Chemistry 4 2 76–87.
IEEE B. Tüzün, “Examination of anti-oxidant properties and molecular docking parameters of some compounds in human body”, Turkish Comp Theo Chem (TC&TC), vol. 4, no. 2, pp. 76–87, 2020, doi: 10.33435/tcandtc.781008.
ISNAD Tüzün, Burak. “Examination of Anti-Oxidant Properties and Molecular Docking Parameters of Some Compounds in Human Body”. Turkish Computational and Theoretical Chemistry 4/2 (December 2020), 76-87. https://doi.org/10.33435/tcandtc.781008.
JAMA Tüzün B. Examination of anti-oxidant properties and molecular docking parameters of some compounds in human body. Turkish Comp Theo Chem (TC&TC). 2020;4:76–87.
MLA Tüzün, Burak. “Examination of Anti-Oxidant Properties and Molecular Docking Parameters of Some Compounds in Human Body”. Turkish Computational and Theoretical Chemistry, vol. 4, no. 2, 2020, pp. 76-87, doi:10.33435/tcandtc.781008.
Vancouver Tüzün B. Examination of anti-oxidant properties and molecular docking parameters of some compounds in human body. Turkish Comp Theo Chem (TC&TC). 2020;4(2):76-87.

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Journal Full Title: Turkish Computational and Theoretical Chemistry


Journal Abbreviated Title: Turkish Comp Theo Chem (TC&TC)