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Number of results
2015 | 22 | 3 | 439-450

Article title

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

Content

Title variants

PL
WPŁYW HERBICYDÓW I FUNGICYDÓW NA AKTYWNOŚĆ CHITYNOLITYCZNĄ GLEB. PODEJŚCIE DOKOWANIA MOLEKULARNEGO

Languages of publication

EN

Abstracts

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.

Publisher

Year

Volume

22

Issue

3

Pages

439-450

Physical description

Dates

published
1 - 9 - 2015
online
5 - 10 - 2015

Contributors

  • 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
author
  • 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

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Document Type

Publication order reference

Identifiers

YADDA identifier

bwmeta1.element.-psjd-doi-10_1515_eces-2015-0025
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