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Shaghaghi, Masoomeh, Rashtbari, Samaneh, Solouki, Laleh, Soltani, Somaieh, Dehghan, Gholamreza. (1401). Molecular Interactions of Danofloxacin with Bovine Serum Albumin: An Experimental and Theoretical Investigation. فصلنامه علمی زیست فناوری گیاهان زراعی, 9(2), 1-9. doi: 10.30473/ijac.2022.63121.1229
Masoomeh Shaghaghi; Samaneh Rashtbari; Laleh Solouki; Somaieh Soltani; Gholamreza Dehghan. "Molecular Interactions of Danofloxacin with Bovine Serum Albumin: An Experimental and Theoretical Investigation". فصلنامه علمی زیست فناوری گیاهان زراعی, 9, 2, 1401, 1-9. doi: 10.30473/ijac.2022.63121.1229
Shaghaghi, Masoomeh, Rashtbari, Samaneh, Solouki, Laleh, Soltani, Somaieh, Dehghan, Gholamreza. (1401). 'Molecular Interactions of Danofloxacin with Bovine Serum Albumin: An Experimental and Theoretical Investigation', فصلنامه علمی زیست فناوری گیاهان زراعی, 9(2), pp. 1-9. doi: 10.30473/ijac.2022.63121.1229
Shaghaghi, Masoomeh, Rashtbari, Samaneh, Solouki, Laleh, Soltani, Somaieh, Dehghan, Gholamreza. Molecular Interactions of Danofloxacin with Bovine Serum Albumin: An Experimental and Theoretical Investigation. فصلنامه علمی زیست فناوری گیاهان زراعی, 1401; 9(2): 1-9. doi: 10.30473/ijac.2022.63121.1229

Molecular Interactions of Danofloxacin with Bovine Serum Albumin: An Experimental and Theoretical Investigation

Iranian Journal of Analytical Chemistry
دوره 9، شماره 2 - شماره پیاپی 18، آذر 2022، صفحه 1-9    اصل مقاله (887.65 K)
نوع مقاله: Full research article
شناسه دیجیتال (DOI): 10.30473/ijac.2022.63121.1229
نویسندگان
Masoomeh Shaghaghi* 1؛ Samaneh Rashtbari2؛ Laleh Solouki1؛ Somaieh Soltani3؛ Gholamreza Dehghan2
1Department of Chemistry, Payame Noor University, P. O. Box 19395-4697 Tehran, Iran
2Department of Biology, Faculty of Natural Sciences, University of Tabriz, Tabriz, Iran
3Pharmaceutical Analysis Research Center, Tabriz University of Medical Sciences, Tabriz, Iran
چکیده
Danofloxacin (DNF), a synthetic fluoroquinolone, is widely used as an antibacterial agent against a broad spectrum of pathogens. In the present study, the effects of DNF on the structure of bovine serum albumin (BSA) were investigated using UV-Vis absorption and fluorescence spectroscopy, and molecular docking methods at different temperatures. The obtained results of UV-Vis absorption studies showed that the microenvironment of the fluorophore residues does not significantly change upon interaction with DNF. Also, fluorometric studies revealed BSA-DNF complex formation and fluorescence quenching of BSA in the presence of DNF. The number of binding sites and binding constants were calculated to be ~1 and in the order of 103, respectively. According to thermodynamic parameters, van der Waals forces and hydrogen bonding play the main role in the BSA-DNF complex formation, which is a spontaneous process. The binding distance between DNF and BSA was calculated by the Förster resonance energy transfer (FRET) method. Molecular docking results were in agreement with thermodynamic and spectroscopic data and confirmed the binding mechanism of DNF to BSA. 
کلیدواژه‌ها
Danofloxacin؛ Bovine Serum Albumin؛ Fluorescence Quenching؛ Molecular Docking
عنوان مقاله [English]
برهمکنش های مولکولی دانوفلوکساسین با آلبومین سرم گاوی: یک بررسی تجربی و تئوری
نویسندگان [English]
معصومه شقاقی1؛ سمانه رشت بری2؛ لاله سلوکی1؛ سمیه سلطانی3؛ غلامرضا دهقان2
1گروه شیمی، دانشگاه پیام نور، صندوق پستی 4697-19395 تهران، ایران
2گروه زیست‌شناسی، دانشکده علوم طبیعی، دانشگاه تبریز، تبریز، ایران
3مرکز تحقیقات آنالیز دارویی، دانشگاه علوم پزشکی تبریز، تبریز، ایران
چکیده [English]
چکیده
دانوفلوکساسین (DNF)، یک فلوروکینولون مصنوعی، به طور گسترده‌ای به عنوان یک عامل ضد باکتری در برابر طیف گسترده‌ای از عوامل بیماری زا استفاده می‌شود. در مطالعه حاضر، اثرات دانوفلوکساسین بر ساختار آلبومین سرم گاوی (BSA) با استفاده از تکنیک‌های طیف‌سنجی جذبی UV-Vis و فلوئورسانس و روش‌های داکینگ مولکولی در دماهای مختلف مورد بررسی قرار گرفت. نتایج به‌دست‌آمده از مطالعات جذب UV-Vis نشان داد که ریزمحیط باقی‌مانده‌های فلوروفور پس از برهم‌کنش با دانوفلوکساسین تغییر قابل‌توجهی نمی‌کند. همچنین، مطالعات فلورومتری تشکیل کمپلکس BSA-DNF و خاموش‌شدن فلوئورسانس آلبومین سرم گاوی را در حضور دانوفلوکساسین نشان داد. تعداد محل‌های اتصال و ثابت‌های اتصال به ترتیب 1~ و در مرتبه 103 محاسبه شد. با توجه به پارامترهای ترمودینامیکی، نیروهای واندروالسی و پیوند هیدروژنی نقش اصلی را در تشکیل کمپلکس BSA-DNF ایفا می‌کنند که یک فرآیند خود به خودی می‌باشد.. فاصله اتصال بین دانوفلوکساسین و آلبومین سرم گاوی با روش انتقال انرژی تشدید فورستر محاسبه شد. نتایج داکینگ مولکولی با داده‌های ترمودینامیکی و طیف‌سنجی مطابقت داشت و مکانیسم اتصال دانوفلوکساسین به آلبومین سرم گاوی را تأیید کرد.
کلیدواژه‌ها [English]
دانوفلوکساسین, آلبومین سرم گاوی, خاموش‌سازی فلوئورسانس, داکینگ مولکولی
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