3D-QSAR OF ANTIINFLAMMATORY ACTIVITIES OF 5,6-DIARYL-2,3-DIHYDRO-1-PYRROLIZINONE DERIVATIVES

VernacularTitle:5,6-二芳基-2,3-二氢-1-吡咯里嗪酮类化合物抗炎作用的三维构效关系研究
Publication Type:Journal Article
From: Acta Pharmaceutica Sinica 2001;36(5):343-346
CountryChina
Language:Chinese
Abstract: AIM　To study the SARs of 5,6-diaryl-2,3-dihydro-1-pyrrolizinone derivatives to provide information for the design of new structural compounds. METHODS AND RESULTS　Three dimensional quantitative structure-activity relationship (3D-QSAR) model was constructed by Apex-3D. CONCLUSION The antiinflammatory activities of 5,6-diaryl-pyrrolizinones were related to the global hydrophobicity and volume, the properties of the group at 1-position of pyrrolizinone ring and the two secondary sites; improved the π-electronic density of the group at 1-position of pyrrolizinone ring and lowered the global hydrophobicity and the volume of p-substituent of the phenyl ring at 6-position of pyrrolizinone contributed to the antiinflammatory activities of the title compounds.