Abstract
AbstractThe binding model of 3‐(2‐chloropyrid‐5‐ylmethylamino)‐2‐cyanoacrylate photosystem II (PSII) electron transport inhibitors with the D1 protein of PSII was built. The high herbicidal activity of this kind of inhibitors was explained by docking studies: in addition to usual factors, the N atom on the pyridine ring could form an H‐bond with the backbone amide of Phe265 on the D1 protein. 3D‐QSAR analysis on sixteen 3‐(2‐chloropyrid‐5‐ylmethylamino)‐2‐cyanoacrylate compounds was performed using CoMFA method to explain the nature of interactions between the compounds and D1 protein. These studies may provide useful insights for designing new PSII electron transport inhibitors.
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