文章基本信息

标题：Experimental and theoretical study of the immunoactivity of 2-methoxy-carbonylpyrrole and derivatives on the lymphocyte T human
本地全文：下载
作者：Idrissi Taghki A. ; Bouachrine M. ; Hnach M. 等
期刊名称：Journal of Materials and Environmental Science
印刷版ISSN：2028-2508
出版年度：2010
卷号：1
期号：1
页码：44-51
出版社：University of Mohammed Premier Oujda
摘要：In order to prepare original compounds that present a new activity, and important immunomodulator properties, we have carried out theoretical study by modern quantum mechanics methods of for each class of molecules derived fro m the 2-methoxycarbonyl-5-phenylpyrrole and bearing in position -3 either alkyl or aryl group. The goal is to evaluate, on the one hand, the structural and electronic role of these substituents and on the other hand, to announce the approach with the experimental results concerning especially pharmacological activities
关键词：Immunomodulator properties; DFT study; energies LUMO; HOMO; Gap.