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doctoral thesis
Toksičnost odabranih herbicida analizirana in silico metodama i biološkim testovima
Zagreb: University of Zagreb, Faculty of Science, 2023. urn:nbn:hr:217:877075
Pehar, Vesna
University of Zagreb
Faculty of Science
Department of Chemistry

Institutional repository: Repository of the Faculty of Science

Cite this document

Pehar, V. (2023). Toksičnost odabranih herbicida analizirana in silico metodama i biološkim testovima (Doctoral thesis). Zagreb: University of Zagreb, Faculty of Science. Retrieved from https://urn.nsk.hr/urn:nbn:hr:217:877075

Pehar, Vesna. "Toksičnost odabranih herbicida analizirana in silico metodama i biološkim testovima." Doctoral thesis, University of Zagreb, Faculty of Science, 2023. https://urn.nsk.hr/urn:nbn:hr:217:877075

Pehar, Vesna. "Toksičnost odabranih herbicida analizirana in silico metodama i biološkim testovima." Doctoral thesis, University of Zagreb, Faculty of Science, 2023. https://urn.nsk.hr/urn:nbn:hr:217:877075

Pehar, V. (2023). 'Toksičnost odabranih herbicida analizirana in silico metodama i biološkim testovima', Doctoral thesis, University of Zagreb, Faculty of Science, accessed 17 May 2024, https://urn.nsk.hr/urn:nbn:hr:217:877075

Pehar V. Toksičnost odabranih herbicida analizirana in silico metodama i biološkim testovima [Doctoral thesis]. Zagreb: University of Zagreb, Faculty of Science; 2023 [cited 2024 May 17] Available at: https://urn.nsk.hr/urn:nbn:hr:217:877075

V. Pehar, "Toksičnost odabranih herbicida analizirana in silico metodama i biološkim testovima", Doctoral thesis, University of Zagreb, Faculty of Science, Zagreb, 2023. Available at: https://urn.nsk.hr/urn:nbn:hr:217:877075

Metadata
TitleToksičnost odabranih herbicida analizirana in silico metodama i biološkim testovima
Title (english)Toxicitiy of selected herbicides analysed by in silico methods and bioassays
AuthorVesna Pehar
VIAF: 42160242862452432079
MentorZrinka Kovarik (mentor)
MentorVišnja Stepanić (mentor)
Committee memberInes Primožič (predsjednik povjerenstva)
Committee memberBranimir Bertoša (član povjerenstva)
Committee memberSuzana Žunec (član povjerenstva)
GranterUniversity of Zagreb
Faculty of Science
(Department of Chemistry)
Zagreb
Defense date and country2023-07-20, Croatia
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Chemistry
Universal decimal classification
(UDC)		54 - Chemistry. Crystallography. Mineralogy
Abstract
Skup od 346 komercijalna herbicida prikupljen je iz dostupnih internetskih baza podataka, dok su 163 herbicida, koja nisu u primjeni, preuzeti iz literaturnih izvora te su oba skupa klasificirana prema mehanizmu djelovanja na korov (HRAC klasifikacija). In silico su predviđena fizikalno-kemijska svojstva i potencijal herbicida za toksično djelovanje na ljudsko zdravlje. Njihovom opsežnom analizom kao potencijalno najtoksičniji identificirani su spojevi iz klase K1, K3/N, F1 i E. Za in vitro analizu potencijalnih inhibitora acetilkolinesteraze i butirilkolinesteraze odabrano je 11 herbicida. Organofosfat anilofos (K3) i oksiacetanilid flufenacet (K3) bili su najpotentniji inhibitori obje kolinesteraze. Glifosat (G), oksadiazon (E), tembotrion (F2) i terbutilazin (C1) bili su vrlo slabi inhibitori kolinesteraza. Općenito, aktivni herbicidi imali su nešto veći potencijal za inhibiciju butirilkolinesteraze nego acetilkolinesteraze. Anilofos, benzulid (Z), butamifos (K1), piperofos (K3) i oksadiazon djelovali su citotoksično na ljudske živčane i jetrene stanice. Rezultati provedenih in silico i in vitro istraživanja daju uvid u potencijalnu toksičnost herbicida i moguću primjenu u dizajnu novih herbicida sigurnih za ljudsko zdravlje i okoliš.
Abstract (english)
Sets of 346 commercial and 163 outdated herbicides were collected from available internet databases and literature and classified according to their mode of action on weeds (HRAC classification). Potential toxic effects on human health and relevant physicochemical properties were predicted. By their extensive analysis the compounds from K1, K3/N, F1, and E classes were identified as the most risky. Eleven herbicides were selected for further in vitro study as potential acetylcholinesterase and butyrylcholinesterase inhibitors. The organophosphate anilophos (K3) and the oxyacetanilide flufenacet (K3) were found to be the most potent inhibitors of both cholinesterases. Glyphosate (G), oxadiazon (E), tembotrione (F2), and terbuthylazine (C1) were poor cholinesterase inhibitors. In general, the active herbicides showed slightly higher potential to inhibit butyrylcholinesterase. Anilophos, bensulide (Z), butamifos (K1), piperofos (K3), and oxadiazon showed cytotoxicity on human nerve and liver cells. The results of the study provide information on the potential toxicity of herbicides, and can be used in design of new herbicides with no toxicity to humans and the environment.
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:217:877075
Promotion2023
ProjectNumber: IP-2018-01-7683
Title: Analiza interakcija butirilkolinesteraze s novim inhibitorima i reaktivatorima
Acronym: AnalyseBChE
Leader: Zrinka Kovarik
Jurisdiction: Croatia
Funder: HRZZ
Funding stream: IP
Study programmeTitle: Doctoral study in chemistry
Study programme type: university
Study level: postgraduate
Academic / professional title: doktor/doktorica znanosti, područje prirodnih znanosti, polje kemija (doktor/doktorica znanosti, područje prirodnih znanosti, polje kemija)
Type of resourceText
Extent99, XV str. ; 30 cm
File originBorn digital
Access conditionsOpen access
Terms of useLicence In copyright icon
Created on2023-08-31 11:46:11