کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1229997 1495198 2017 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Fluorescence spectroscopic and molecular docking studies of the binding interaction between the new anaplastic lymphoma kinase inhibitor crizotinib and bovine serum albumin
ترجمه فارسی عنوان
ویژگی های مضر پیشرفته قندی شدن محصولات نهایی (سنین) واحد ها و ribosylated زرد phytocystatin دانه خردل: اثر مونوساکاریدها مختلف
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
چکیده انگلیسی


• A fluorescence quenching procedure was used to study the interaction between crizotinib and BSA.
• Quenching between crizotinib and BSA is static quenching.
• Interaction is spontaneous and mainly driven by hydrophobic and electrostatic forces.
• Site marker competitive experiments and molecular docking showed that CRB binds to subdomain IIA (site I) of BSA.

Binding of the recently introduced anti-cancer drug, crizotinib (CRB) with the bovine serum albumin (BSA) was comprehensively studied with the aid of fluorescence and UV–Vis spectroscopic as well as molecular docking techniques. The collective results of the study under the simulated physiological conditions proposed a static type of binding occurring between the CRB and BSA with binding constants of 104 L mol− 1. BSA conformational changes were investigated using three dimensional (3D) and synchronous fluorescence measurements. Moreover, the results of site marker competitive experiments and molecular docking, it could be deduced that CRB was inserted into the subdomain IIA (site I) of BSA yielding a more stabilized system. This was further confirmed with the molecular docking results which revealed that CRB is located in the active site residues Try149, Glu152, Ser191, Arg194, Arg198, Trp213, Arg217, Arg256, His287, Ala290, Glu291, Ser343, Asp450 within a radius of 6 Å. Combining the molecular docking studies and the computed thermodynamic parameters, it can be inferred that hydrophobic and electrostatic interactions are the major binding forces involved in formation of the CRB-BSA complex.

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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 171, 15 January 2017, Pages 174–182
نویسندگان
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