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 |
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Pages (from-to) | 1019-1024 |
Number of pages | 6 |
Journal | Bioorganic and Medicinal Chemistry |
Volume | 10 |
Issue number | 4 |
DOIs | |
Publication status | Published - 2002 |
ASJC Scopus subject areas
- Biochemistry
- Molecular Biology
- Organic Chemistry
- Drug Discovery
- Pharmaceutical Science