Molecular structure and stereoelectronic properties of herbicide sulphonylureas

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

Research output: Contribution to journalArticlepeer-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 languageEnglish
Pages (from-to)1019-1024
Number of pages6
JournalBioorganic and Medicinal Chemistry
Volume10
Issue number4
DOIs
Publication statusPublished - 2002

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Biology
  • Organic Chemistry
  • Drug Discovery
  • Pharmaceutical Science

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