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2015 | 22 | 3 | 439-450
Tytuł artykułu

Effects Of Herbicides And Fungicides On The Soil Chitinolytic Activity. A Molecular Docking Approach

Treść / Zawartość
Warianty tytułu
PL
WPŁYW HERBICYDÓW I FUNGICYDÓW NA AKTYWNOŚĆ CHITYNOLITYCZNĄ GLEB. PODEJŚCIE DOKOWANIA MOLEKULARNEGO
Języki publikacji
EN
Abstrakty
EN
A molecular docking study was undertaken using the programs SwissDock and PatchDock to assess the interactions of the bacterial chitinases belonging to the GH18 and GH19 families with two herbicides (chlorsulfuron and nicosulfuron) and two fungicides (difenoconazole and drazoxolon). Both molecular docking programs predict that all considered pesticides bind to the active sites of chitinases produced by soil microorganisms. There are correlations for predicted binding energy values for receptor-ligand complexes obtained using the two programs consolidating the prediction of the chitinases-pesticides interactions. The interactions of chitinases with pesticides involve the same residues as their interactions with known inhibitors suggesting the inhibitory potential of pesticides. Pesticides interact stronger with chitinases belonging to the GH18 family, their active sites reflecting higher polarity than those of the GH19 chitinases. Also, herbicides reveal a higher inhibitory potential to bacterial chitinases than fungicides.
Wydawca

Rocznik
Tom
22
Numer
3
Strony
439-450
Opis fizyczny
Daty
wydano
2015-09-01
online
2015-10-05
Twórcy
  • Department of Biology-Chemistry, West University of Timisoara, 16 Pestalozzi, 300315 Timisoara, Environmental Advanced Researches Laboratories, Oituz 4, 300086 Timisoara, Romania
  • Department of Biology-Chemistry, West University of Timisoara, 16 Pestalozzi, 300315 Timisoara, Environmental Advanced Researches Laboratories, Oituz 4, 300086 Timisoara, Romania
  • Department of Biology-Chemistry, West University of Timisoara, 16 Pestalozzi, 300315 Timisoara, Environmental Advanced Researches Laboratories, Oituz 4, 300086 Timisoara, Romania
  • Department of Biology-Chemistry, West University of Timisoara, 16 Pestalozzi, 300315 Timisoara, Environmental Advanced Researches Laboratories, Oituz 4, 300086 Timisoara, Romania, adriana.isvoran@e-uvt.ro
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_1515_eces-2015-0025
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