These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Search MEDLINE/PubMed

  • Title: Comparative three-dimensional quantitative structure-activity relationship study of safeners and herbicides.
    Author: Bordás B, Kömíves T, Szántó Z, Lopata A.
    Journal: J Agric Food Chem; 2000 Mar; 48(3):926-31. PubMed ID: 10725176.
    Abstract:
    The competitive antagonist hypothesis for safeners and herbicides was investigated by studying the 3D similarity between 28 safener and 20 herbicide molecules in their putative biologically active, low-energy conformations using comparative molecular field analysis (CoMFA). In addition, CoMFA provided information about the structural requirements for the interactions of safeners and herbicides with a proteinaceous component (SafBP) isolated from etiolated corn seedlings. Statistically significant CoMFA models have been developed for the united and separate safener and herbicide molecule sets using retrospective binding affinity data of the ligands measured at the SafBP receptor. The predictive power of the models was characterized by squared cross-validated correlation coefficients (q(2)) of 0.708, 0.564, and 0.4000 for the united safener plus herbicide set, the safener set, and the herbicide set, respectively. The CoMFA results support the competitive antagonist hypothesis between certain types of safeners and herbicides. The findings suggest that structural similarity between these two classes of agrochemicals is a useful guide in the design of new safeners.
    [Abstract] [Full Text] [Related] [New Search]