TY  - CONF
AU  - Arsić, Biljana
AU  - Vrecl, Milka
AU  - Trobec, Tomaž
AU  - Sepčić, Kristina
AU  - Frangež, Robert
AU  - Glišić, Sanja
AU  - Milićević, Jelena
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13363
AB  - Rastući trend za poljoprivrednim proizvodima doveo je do pogrešne upotrebe pesticida. Butirilholinesteraza (BChE) sprečava određene pesticide da nepovratno inhibiraju acetilholinesterazu (AChE), drugi enzim ključan za neurotransmisiju. Za naša istraživanja smo izabrali često korišćene pesticide abamektin i boskalid. Naša in silico i in vitro istraživanja su pokazala da BChE iz Homo sapiens-a nije meta za abamektine B1A i B1B. Boskalid je pokazao gori Glide score (-6.88 kcal/mol) nego potvrđeni inhibitor BChE (2- ((1-(benzensulfonil)-1H-indol-4-il)oksi)etil)(benzil)amin sa IC50=0.473 μM (Glide score = -8.64 kcal/mol), tako da nije iznenađujuće da je njegov IC50 značajno viši. Ova studija naglašava zaštitnu ulogu BChE protiv određenih pesticida.
AB  - The growing demand for agricultural products has led to the misuse of pesticides. Butyrylcholinesterase (BChE) prevents some pesticides from irreversibly inhibiting acetylcholinesterase (AChE), another enzyme crucial for neurotransmission. For our studies, we choose commonly used pesticides abamectin and boscalid. The Homo sapiens BChE was shown not to be a target for abamectins B1A and B1B either in silico or in vitro. Boscalid showed a worse Glide score (-6.88 kcal/mol) than the approved BChE inhibitor (2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)(benzyl)amine with an IC50 value of 0.473 μM (Glide score=-8.64 kcal/mol), so it is not surprising that its IC50 is significantly higher. This study highlights the protective role of BChE against certain pesticides.
PB  - Belgrade : Serbian Chemical Society
C3  - 60th Meeting of the Serbian Chemical Society : Book of Abstracts
T1  - Inhibicija aktivnosti butirilholinesteraze od strane abamektina i boskalida: kompjuterska i in vitro proučavanja
T1  - Inhibition of butyrylcholinesterase activity by abamectin and boscalid: computational and in vitro studies
SP  - 34
EP  - 34
UR  - https://hdl.handle.net/21.15107/rcub_vinar_13363
ER  - 

@conference{
author = "Arsić, Biljana and Vrecl, Milka and Trobec, Tomaž and Sepčić, Kristina and Frangež, Robert and Glišić, Sanja and Milićević, Jelena",
year = "2024",
abstract = "Rastući trend za poljoprivrednim proizvodima doveo je do pogrešne upotrebe pesticida. Butirilholinesteraza (BChE) sprečava određene pesticide da nepovratno inhibiraju acetilholinesterazu (AChE), drugi enzim ključan za neurotransmisiju. Za naša istraživanja smo izabrali često korišćene pesticide abamektin i boskalid. Naša in silico i in vitro istraživanja su pokazala da BChE iz Homo sapiens-a nije meta za abamektine B1A i B1B. Boskalid je pokazao gori Glide score (-6.88 kcal/mol) nego potvrđeni inhibitor BChE (2- ((1-(benzensulfonil)-1H-indol-4-il)oksi)etil)(benzil)amin sa IC50=0.473 μM (Glide score = -8.64 kcal/mol), tako da nije iznenađujuće da je njegov IC50 značajno viši. Ova studija naglašava zaštitnu ulogu BChE protiv određenih pesticida., The growing demand for agricultural products has led to the misuse of pesticides. Butyrylcholinesterase (BChE) prevents some pesticides from irreversibly inhibiting acetylcholinesterase (AChE), another enzyme crucial for neurotransmission. For our studies, we choose commonly used pesticides abamectin and boscalid. The Homo sapiens BChE was shown not to be a target for abamectins B1A and B1B either in silico or in vitro. Boscalid showed a worse Glide score (-6.88 kcal/mol) than the approved BChE inhibitor (2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)(benzyl)amine with an IC50 value of 0.473 μM (Glide score=-8.64 kcal/mol), so it is not surprising that its IC50 is significantly higher. This study highlights the protective role of BChE against certain pesticides.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "60th Meeting of the Serbian Chemical Society : Book of Abstracts",
title = "Inhibicija aktivnosti butirilholinesteraze od strane abamektina i boskalida: kompjuterska i in vitro proučavanja, Inhibition of butyrylcholinesterase activity by abamectin and boscalid: computational and in vitro studies",
pages = "34-34",
url = "https://hdl.handle.net/21.15107/rcub_vinar_13363"
}

Arsić, B., Vrecl, M., Trobec, T., Sepčić, K., Frangež, R., Glišić, S.,& Milićević, J.. (2024). Inhibicija aktivnosti butirilholinesteraze od strane abamektina i boskalida: kompjuterska i in vitro proučavanja. in 60th Meeting of the Serbian Chemical Society : Book of Abstracts
Belgrade : Serbian Chemical Society., 34-34.
https://hdl.handle.net/21.15107/rcub_vinar_13363

Arsić B, Vrecl M, Trobec T, Sepčić K, Frangež R, Glišić S, Milićević J. Inhibicija aktivnosti butirilholinesteraze od strane abamektina i boskalida: kompjuterska i in vitro proučavanja. in 60th Meeting of the Serbian Chemical Society : Book of Abstracts. 2024;:34-34.
https://hdl.handle.net/21.15107/rcub_vinar_13363 .

Arsić, Biljana, Vrecl, Milka, Trobec, Tomaž, Sepčić, Kristina, Frangež, Robert, Glišić, Sanja, Milićević, Jelena, "Inhibicija aktivnosti butirilholinesteraze od strane abamektina i boskalida: kompjuterska i in vitro proučavanja" in 60th Meeting of the Serbian Chemical Society : Book of Abstracts (2024):34-34,
https://hdl.handle.net/21.15107/rcub_vinar_13363 .