کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5399934 | 1505902 | 2015 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Probing of possible olanzapine binding site on human serum albumin: Combination of spectroscopic methods and molecular dynamics simulation
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Probing of possible olanzapine binding site on human serum albumin: Combination of spectroscopic methods and molecular dynamics simulation Probing of possible olanzapine binding site on human serum albumin: Combination of spectroscopic methods and molecular dynamics simulation](/preview/png/5399934.png)
چکیده انگلیسی
Human serum albumin (HSA)-drug binding affinity is one of the major factors that determine the pharmacokinetics, halftime and bioavailability of drugs in various tissues. In the present study, the interaction of olanzapine (OLZ), a thienobenzodiazepine drug, administered for the treatment of schizophrenia and bipolar disorder, with HSA has been studied using spectroscopic methods such as ultraviolet absorbance, fluorescence and FTIR combined with computational procedures. Analyzing of the Stern-Volmer quenching data showed only one primary binding site on HSA with a binding constant of 4.12Ã104 Mâ1 at 298 K. Thermodynamic analyses showed enthalpy change (ÎH°) and entropy change (ÎS°) were 28.03±3.42 kJ molâ1 and â25.52±11.52 J molâ1 Kâ1, respectively. Molecular docking results suggested the hydrophobic residues such as Val216, Leu327, Ala350 and polar residues such as Glu354 play an important role in the drug binding. Decrement in α-helix content of the protein upon OLZ binding was also confirmed by evidences provided by molecular dynamics simulation as well as FTIR spectroscopy.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Luminescence - Volume 158, February 2015, Pages 91-98
Journal: Journal of Luminescence - Volume 158, February 2015, Pages 91-98
نویسندگان
Mohsen Shahlaei, Behnoosh Rahimi, Mohammad Reza Ashrafi-Kooshk, Komail Sadrjavadi, Reza Khodarahmi,