| Autor: |
Janet Elizabeth Anderson-Mckay, Andris J. Liepa, David A. Winkler, Noel K. Hart |
| Rok vydání: |
1989 |
| Předmět: |
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| Zdroj: |
Pesticide Science. 27:45-63 |
| ISSN: |
0031-613X |
| DOI: |
10.1002/ps.2780270106 |
| Popis: |
Structure-activity relationships in oximes of a series of sixteen 3-acyltetrahydro-2H-pyran-2,4-diones, exhibiting a variety of pre- and postemergent herbicidal activities, have been studied by means of computer graphics methods. The most active compounds are potent grass-killers. This graminicidal activity appears to depend strongly on the size and shape of the substituent at the 6-position of the pyran. The activity correlates with both molar refractivity and fit to a hypothetical ‘receptor’ probably the active site of acetyl coenzyme A carboxylase. The herbicide sethoxydim and the pyrandione herbicides appear to mimic the transition state of the reaction catalyzed by acetyl-CoA carboxylase. The study has yielded a receptor model which defines clearly the three-dimensional binding reguirements of the pyran ring and the substituents at the 6 position. It is not capable of providing information on the structural requirements of the 3-acyl moiety. The model is capable of discriminating between active and inactive herbicidal compounds and provides a basis for the design of new herbicidal compounds with enhanced graminicidal activity. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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