Quantitative multidimensional conformational analysis of azadirachtin

H. A. Baldoni, R. D. Enriz, I. G. Csizmadia

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4 Citations (Scopus)

Abstract

The biological activity of azadirachtin is related to the stability of its conformations. A complete Multidimensional Conformational Analysis at the AM1 theory was carried out. Torsional angle φ measured the relative orientation of the tow fused ring system (A + B + C + D) relative to (E + F + G) while χ1, χ2 and χ3 characterized the orientation of the three OH groups located at C7, C11 and C20. Cross-sections of the potential enthalpy (H) hypersurface H = H(χ1, χ2, χ3, φ) studied at φ = g+, a and g- orientations are shown.

Original languageEnglish
Pages (from-to)251-270
Number of pages20
JournalJournal of Molecular Structure: THEOCHEM
Volume463
Issue number3
DOIs
Publication statusPublished - May 3 1999

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Keywords

  • Azadirachtin
  • Insect antifeedant
  • Theoretical conformational analysis

ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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