کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1396822 1501199 2009 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Juglone derivatives as antitubercular agents: A rationale for the activity profile
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Juglone derivatives as antitubercular agents: A rationale for the activity profile
چکیده انگلیسی

The antitubercular activity and cytotoxicity of juglone derivatives were analyzed with the topological and molecular surface features from a web-based server, MODEL (MOlecular DEscriptor Lab). Analysis of the structural features in conjunction with the biological endpoints in Combinatorial Protocol in Multiple Linear Regression led to the identification of seven descriptors for modeling the activity and six descriptors for that of the toxicity of the compounds. Analysis of these descriptors in PLS highlighted their relative significance in modulating the biological response. They suggested that structures with compact molecular arrangement, partial positive surface areas and increased autocorrelation with small lag values may lead to better antitubercular activity.

The QSAR analysis of the antitubercular activity and cytotoxicity of juglone derivatives with topological and molecular surface features has suggested that structures with compact molecular arrangement, partial positive surface areas and increased autocorrelation with small lag values may lead to better activity.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: European Journal of Medicinal Chemistry - Volume 44, Issue 7, July 2009, Pages 2847–2853
نویسندگان
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