کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1395815 1501143 2014 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
In situ and in silico evaluation of amine- and folate-terminated dendrimers as nanocarriers of anesthetics
ترجمه فارسی عنوان
در محل و در ارزیابی سیلیکون دندریمرها به عنوان نانوکاریسینهای بیهوشی
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
چکیده انگلیسی


• The aim of this study was to employ computational chemistry to rationalize drug delivery behavior in vitro.
• Experimental data showed agreement with theoretical studies.
• Folic acid functionalized PAMAM dendrimer showed to be the best candidate for drug delivery of morphine and tramadol.

The search for new nano-systems for targeted biomedical applications and controlled drug release has attracted significant attention in polymer chemistry, pharmaceutics, and biomaterial science. Controlled drug delivery has many advantages over conventional drug administration, such as reduction of side effects, maintaining a stable plasma level concentration and improving the quality of life of patients. In this study, PAMAM G5 dendrimers and PAMAM G5-folic acid conjugates (PAMAM G5-FA) are synthesized and characterized by mass spectrometry (MALDI-MS). Controlled release studies at different pH values show that PAMAM G5-FA is a good candidate as a carrier for tramadol and morphine, while mathematical modeling is conducted, suggesting that the release process is governed by a diffusion mechanism. In addition, using molecular dynamics simulations, we investigate the structural and energetic properties that facilitate the encapsulation of tramadol and morphine by unmodified and functionalized PAMAM-G5 dendrimers at low, neutral and high pH. Our results correlate well with experimental data, confirming that tramadol and morphine may be encapsulated both by functionalized PAMAM dendrimers and unmodified PAMAM. Moreover, the simulations further reveal that hydrogen-bond and electrostatic interactions govern the affinity the dendrimers for both drugs. This information is envisioned to prove useful for the encapsulation of other drugs and for the design of novel functionalized dendrimers.

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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: European Journal of Medicinal Chemistry - Volume 73, 12 February 2014, Pages 250–257
نویسندگان
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