Antioxidative and Inhibitor Activity of Alizarin-2-Glycoside
Antioksidativna i inhibitorska aktivnost Alizarin-2-glikozida

2018
Authors
Avdović, EdinaJeremić, Svetlana
Amić, Ana
Pirković, Marijana
Milenković, Dejan
Djorović, Jelena
Marković, Zoran
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In this paper was investigated the antioxidative activity of alizarin-2-glycoside. All results were obtained using the DFT method. For calculations, the M06-2X method was used in combination with the 6-311++G(d,p) base set. Water was used as a solvent. The values of enthalpy were used as thermodynamic parameters on the basis of which the antioxidative capacity of alizarin-2-glycoside was evaluated. The Molecular Docking method was used for assessing the ability of alizarin-2-glycoside to inhibit the negative effect of P-glycoprotein.
U ovom radu je ispitana antioksidativna aktivnost alizarin-2-glikozida. Svi rezultati dobijeni su primenom DFT metode. Za izračunavanja je korišćena M06-2X metoda u kombinaciji sa 6-311++G(d,p) bazisnim skupom. Kao rastvarač korišćena je voda. Vrednosti entalpija korišćene su kao termodinamički parametri na osnovu kojih je procenjen antioksidativni kapacitet alizarin-2-glikozida. Molecular Docking metodom procenjena je sposobnost alizarin-2-glikozida da inhibira negativan uticaj P-glikoproteina.
Keywords:
alizarin-2-glycoside / antioxidant activity / DFT / enthalpy / P-glycoprotein / antioksidativna aktivnost / entalpijaSource:
23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018., 2018Funding / projects:
- Dynamics of nonlinear physicochemical and biochemical systems with modeling and predicting of their behavior under nonequilibrium conditions (RS-172015)
- Synthesis, modeling, physicochemical and biological properties of organic compounds and related metal complexes (RS-172016)
- Multiscale Methods and Their Applicatios in Nanomedicine (RS-174028)
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Poljoprivredni fakultetTY - CONF AU - Avdović, Edina AU - Jeremić, Svetlana AU - Amić, Ana AU - Pirković, Marijana AU - Milenković, Dejan AU - Djorović, Jelena AU - Marković, Zoran PY - 2018 UR - http://aspace.agrif.bg.ac.rs/handle/123456789/5655 AB - In this paper was investigated the antioxidative activity of alizarin-2-glycoside. All results were obtained using the DFT method. For calculations, the M06-2X method was used in combination with the 6-311++G(d,p) base set. Water was used as a solvent. The values of enthalpy were used as thermodynamic parameters on the basis of which the antioxidative capacity of alizarin-2-glycoside was evaluated. The Molecular Docking method was used for assessing the ability of alizarin-2-glycoside to inhibit the negative effect of P-glycoprotein. AB - U ovom radu je ispitana antioksidativna aktivnost alizarin-2-glikozida. Svi rezultati dobijeni su primenom DFT metode. Za izračunavanja je korišćena M06-2X metoda u kombinaciji sa 6-311++G(d,p) bazisnim skupom. Kao rastvarač korišćena je voda. Vrednosti entalpija korišćene su kao termodinamički parametri na osnovu kojih je procenjen antioksidativni kapacitet alizarin-2-glikozida. Molecular Docking metodom procenjena je sposobnost alizarin-2-glikozida da inhibira negativan uticaj P-glikoproteina. C3 - 23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018. T1 - Antioxidative and Inhibitor Activity of Alizarin-2-Glycoside T1 - Antioksidativna i inhibitorska aktivnost Alizarin-2-glikozida UR - https://hdl.handle.net/21.15107/rcub_agrospace_5655 ER -
@conference{ author = "Avdović, Edina and Jeremić, Svetlana and Amić, Ana and Pirković, Marijana and Milenković, Dejan and Djorović, Jelena and Marković, Zoran", year = "2018", abstract = "In this paper was investigated the antioxidative activity of alizarin-2-glycoside. All results were obtained using the DFT method. For calculations, the M06-2X method was used in combination with the 6-311++G(d,p) base set. Water was used as a solvent. The values of enthalpy were used as thermodynamic parameters on the basis of which the antioxidative capacity of alizarin-2-glycoside was evaluated. The Molecular Docking method was used for assessing the ability of alizarin-2-glycoside to inhibit the negative effect of P-glycoprotein., U ovom radu je ispitana antioksidativna aktivnost alizarin-2-glikozida. Svi rezultati dobijeni su primenom DFT metode. Za izračunavanja je korišćena M06-2X metoda u kombinaciji sa 6-311++G(d,p) bazisnim skupom. Kao rastvarač korišćena je voda. Vrednosti entalpija korišćene su kao termodinamički parametri na osnovu kojih je procenjen antioksidativni kapacitet alizarin-2-glikozida. Molecular Docking metodom procenjena je sposobnost alizarin-2-glikozida da inhibira negativan uticaj P-glikoproteina.", journal = "23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018.", title = "Antioxidative and Inhibitor Activity of Alizarin-2-Glycoside, Antioksidativna i inhibitorska aktivnost Alizarin-2-glikozida", url = "https://hdl.handle.net/21.15107/rcub_agrospace_5655" }
Avdović, E., Jeremić, S., Amić, A., Pirković, M., Milenković, D., Djorović, J.,& Marković, Z.. (2018). Antioxidative and Inhibitor Activity of Alizarin-2-Glycoside. in 23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018.. https://hdl.handle.net/21.15107/rcub_agrospace_5655
Avdović E, Jeremić S, Amić A, Pirković M, Milenković D, Djorović J, Marković Z. Antioxidative and Inhibitor Activity of Alizarin-2-Glycoside. in 23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018.. 2018;. https://hdl.handle.net/21.15107/rcub_agrospace_5655 .
Avdović, Edina, Jeremić, Svetlana, Amić, Ana, Pirković, Marijana, Milenković, Dejan, Djorović, Jelena, Marković, Zoran, "Antioxidative and Inhibitor Activity of Alizarin-2-Glycoside" in 23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018. (2018), https://hdl.handle.net/21.15107/rcub_agrospace_5655 .