کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5417098 | 1506906 | 2010 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Molecular modeling as a promising tool to study dendrimer prodrugs delivery
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Molecular modeling methodologies were applied to perform preliminary studies concerning the release of active agents from potentially antichagasic and antileishmanial dendrimer prodrugs. The dendrimer was designed having myo-inositol as a core, l-malic acid as a spacer group, and hydroxymethylnitrofurazone (NFOH), 3-hydroxyflavone or quercetin, as active compounds. Each dendrimer presented a particular behavior concerning to the following investigated properties: spatial hindrance, map of electrostatic potential (MEP), and the lowest unoccupied molecular orbital energy (ELUMO). Additionally, the findings suggested that the carbonyl group next to the active agent seems to be the most promising ester breaking point.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 939, Issues 1â3, 15 January 2010, Pages 133-138
Journal: Journal of Molecular Structure: THEOCHEM - Volume 939, Issues 1â3, 15 January 2010, Pages 133-138
نویسندگان
Jeanine Giarolla, Daniela G. Rando, Kerly F.M. Pasqualoto, Márcio H. Zaim, Elizabeth I. Ferreira,