کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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1396822 | 1501199 | 2009 | 7 صفحه PDF | دانلود رایگان |

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
Journal: European Journal of Medicinal Chemistry - Volume 44, Issue 7, July 2009, Pages 2847–2853