Molecular structure and stereoelectronic properties of herbicide sulphonylureas

R. Galeazzi; C. Marucchini; M. Orena; C. Zadra

doi:10.1016/S0968-0896(01)00357-1

Molecular structure and stereoelectronic properties of herbicide sulphonylureas

R. Galeazzi, C. Marucchini, M. Orena, C. Zadra

Istituto Nazionale di Riposo e Cura per Anziani V.E. II

Research output: Contribution to journal › Article › peer-review

Abstract

MO theoretical calculations were used with the aim to investigate the electronic properties of a numbe of sulphonylureas 1-8 which are employed as antifeedants. Quantum chemical descriptors [elect on density, molecular electrostatic potential (MEP), the topology of frontie orbitals and reactivity index] were determined for these compounds, aimed both to obtain a deeper insight in thei mechanism of action and to correlate these properties with their activity as inhibitors of ALS synthase.

Original language	English
Pages (from-to)	1019-1024
Number of pages	6
Journal	Bioorganic and Medicinal Chemistry
Volume	10
Issue number	4
DOIs	https://doi.org/10.1016/S0968-0896(01)00357-1
Publication status	Published - 2002

ASJC Scopus subject areas

Biochemistry
Molecular Biology
Organic Chemistry
Drug Discovery
Pharmaceutical Science

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Molecular structure and stereoelectronic properties of herbicide sulphonylureas

Abstract

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