Quantitative multidimensional conformational analysis of azadirachtin

被引：4

作者：

Baldoni, HA

Enriz, RD

Csizmadia, IG

机构：

[1] Univ Nacl San Luis, Fac Quim Bioquim & Farm, Dept Quim, RA-5700 San Luis, Argentina

[2] Univ Toronto, Dept Chem, Toronto, ON M5S 1A1, Canada

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1999年 / 463卷 / 03期

基金：

加拿大自然科学与工程研究理事会;

关键词：

azadirachtin; theoretical conformational analysis; insect antifeedant;

D O I：

10.1016/S0166-1280(98)00499-0

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The biological activity of azadirachtin is related to the stability of its conformations. A complete Multidimensional Conformational Analysis at the AMI theory was carried our. Torsional angle phi measared the relative orientation of the tow fused ring system (A + B + C + D) relative to (E + F + G) while chi(1), chi(2) and chi(3) characterized the orientation of the three OH groups located at C(7) C(11) and C(20). Cross-sections of the potential enthalpy (H) hypersurface H H(chi(1), chi(2), chi(3). phi) studied at phi = g(+), a and g(-) orientations are shown. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：251 / 270

页数：20

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