کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1958606 1057915 2006 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Permeability of Psoralen Derivatives in Lipid Membranes
موضوعات مرتبط
علوم زیستی و بیوفناوری بیوشیمی، ژنتیک و زیست شناسی مولکولی زیست شیمی
پیش نمایش صفحه اول مقاله
Permeability of Psoralen Derivatives in Lipid Membranes
چکیده انگلیسی

Molecular dynamics simulations have been performed to explore the distribution and translocation of a set of furocoumarins (psoralen derivatives) inside saturated and partially unsaturated lipid membranes. Within the simulations, strong accumulation of the photodynamic drugs is observed near the polar headgroup region, although the populations also extend out into the membrane/water interface as well as to the membrane center. The computed transverse (Dz) diffusion coefficients are in the range 0.01–0.03 × 10−5 cm2 s−1—significantly slower than those reported for small molecules like water, ethane, and ammonia—and are related to the low mobility inside the polar headgroup region. Trimethylpsoralen (TMP) has a very low free energy barrier to transversion, only ∼10 kJ/mol, whereas 5- and 8-methoxy psoralens (5-MOP, 8-MOP) have the largest barriers of the compounds studied—between 25 and 40 kJ/mol. Upper bounds to the permeation coefficients, obtained by integrating the resistance profiles across the bilayers, range from 5.2 × 10−8 cm s−1 for TMP to 4.1 × 10−12 cm s−1 for 5-MOP. The current simulations explain the high level of furocoumarin-lipid membrane complexes found in experimental studies of albino Wistar rats exposed to topical application of 8-MOP, and points to the possibility of membrane photodamage as a viable mechanism in psoralen ultraviolet-A treatment.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: - Volume 91, Issue 7, 1 October 2006, Pages 2464–2474
نویسندگان
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