Avdović, Edina

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ac76f09a-b36a-4344-8346-1b0422132676
  • Avdović, Edina (2)
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Author's Bibliography

Ligand-Protein Interaction Of 3-(1-(3-Hydroxypropylamino)Etylidene)Chroman-2,4-Dione With Human C Reactive Protein

Avdović, Edina; Milenković, Dejan; Djorović, Jelena; Vuković, Nenad; Dolicanin, Zana; Trifunović, Srećko; Marković, Zoran; Jeremić, Svetlana

(2018) 

TY  - CONF
AU  - Avdović, Edina
AU  - Milenković, Dejan
AU  - Djorović, Jelena
AU  - Vuković, Nenad
AU  - Dolicanin, Zana
AU  - Trifunović, Srećko
AU  - Marković, Zoran
AU  - Jeremić, Svetlana
PY  - 2018
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5654
AB  - The structure of the newly synthesized coumarin derivative, 3-(1-(3-hydroxypropylamino)-ethylidene)-chroman-2,4-dione, was investigated theoretically. The density functional theory calculations, with B3LYP functional (and with empirical dispersion corrections D3BJ) in combination with the 6–311+G(d,p) basis set, are performed in order to optimized the molecular structure of the investigated coumarin derivative. Molecular docking analysis was carried out in order to identify the potency of inhibition of the title molecule against human C-reactive protein. The inhibition activity was obtained for ten conformations of ligand inside protein.
AB  - Struktura novo sintetisanog derivata kumarina, 3- (1- (3-hidroksipropilamino) -etiliden) -hroman-2,4-diona, ispitana je primenom teorijskih metoda. Za optimizaciju strukture ispitivanog kumarinskog derivata korišćena je teorija funkcionalne gustine: B3LYP funkcional ( sa empirijskim ispravkama disperzije D3BJ) u kombinaciji sa 6-311+G(d, p) bazisnim setom. Urađen je molekulski doking, kao i analiza dobijenih rezultata kako bi se utvrdio potencijal inhibicije molekula ispitivanog jedinjenja prema humanom C-reaktivnom proteinu. Aktivnost inhibicije izračunata je za deset potencijalnih konformacija liganda unutar proteina.
C3  - 23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018.
T1  - Ligand-Protein Interaction Of 3-(1-(3-Hydroxypropylamino)Etylidene)Chroman-2,4-Dione With Human C Reactive Protein
T1  - Ligand-protein interakcije 3-(1-(3-hidroksipropilamino)etiliden)hroman-2,4-diona sa humanim C reaktivnim proteinom
UR  - https://hdl.handle.net/21.15107/rcub_agrospace_5654
ER  - 
@conference{
author = "Avdović, Edina and Milenković, Dejan and Djorović, Jelena and Vuković, Nenad and Dolicanin, Zana and Trifunović, Srećko and Marković, Zoran and Jeremić, Svetlana",
year = "2018",
abstract = "The structure of the newly synthesized coumarin derivative, 3-(1-(3-hydroxypropylamino)-ethylidene)-chroman-2,4-dione, was investigated theoretically. The density functional theory calculations, with B3LYP functional (and with empirical dispersion corrections D3BJ) in combination with the 6–311+G(d,p) basis set, are performed in order to optimized the molecular structure of the investigated coumarin derivative. Molecular docking analysis was carried out in order to identify the potency of inhibition of the title molecule against human C-reactive protein. The inhibition activity was obtained for ten conformations of ligand inside protein., Struktura novo sintetisanog derivata kumarina, 3- (1- (3-hidroksipropilamino) -etiliden) -hroman-2,4-diona, ispitana je primenom teorijskih metoda. Za optimizaciju strukture ispitivanog kumarinskog derivata korišćena je teorija funkcionalne gustine: B3LYP funkcional ( sa empirijskim ispravkama disperzije D3BJ) u kombinaciji sa 6-311+G(d, p) bazisnim setom. Urađen je molekulski doking, kao i analiza dobijenih rezultata kako bi se utvrdio potencijal inhibicije molekula ispitivanog jedinjenja prema humanom C-reaktivnom proteinu. Aktivnost inhibicije izračunata je za deset potencijalnih konformacija liganda unutar proteina.",
journal = "23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018.",
title = "Ligand-Protein Interaction Of 3-(1-(3-Hydroxypropylamino)Etylidene)Chroman-2,4-Dione With Human C Reactive Protein, Ligand-protein interakcije 3-(1-(3-hidroksipropilamino)etiliden)hroman-2,4-diona sa humanim C reaktivnim proteinom",
url = "https://hdl.handle.net/21.15107/rcub_agrospace_5654"
}
Avdović, E., Milenković, D., Djorović, J., Vuković, N., Dolicanin, Z., Trifunović, S., Marković, Z.,& Jeremić, S.. (2018). Ligand-Protein Interaction Of 3-(1-(3-Hydroxypropylamino)Etylidene)Chroman-2,4-Dione With Human C Reactive Protein. in 23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018..
https://hdl.handle.net/21.15107/rcub_agrospace_5654
Avdović E, Milenković D, Djorović J, Vuković N, Dolicanin Z, Trifunović S, Marković Z, Jeremić S. Ligand-Protein Interaction Of 3-(1-(3-Hydroxypropylamino)Etylidene)Chroman-2,4-Dione With Human C Reactive Protein. in 23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018.. 2018;.
https://hdl.handle.net/21.15107/rcub_agrospace_5654 .
Avdović, Edina, Milenković, Dejan, Djorović, Jelena, Vuković, Nenad, Dolicanin, Zana, Trifunović, Srećko, Marković, Zoran, Jeremić, Svetlana, "Ligand-Protein Interaction Of 3-(1-(3-Hydroxypropylamino)Etylidene)Chroman-2,4-Dione With Human C Reactive Protein" in 23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018. (2018),
https://hdl.handle.net/21.15107/rcub_agrospace_5654 .

Antioxidative and Inhibitor Activity of Alizarin-2-Glycoside

Avdović, Edina; Jeremić, Svetlana; Amić, Ana; Pirković, Marijana; Milenković, Dejan; Djorović, Jelena; Marković, Zoran

(2018) 

TY  - 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 .