In Vitro and in Silico studies to explore structural features of flavonoids for aldehyde oxidase inhibition

In Vitro and in Silico studies to explore structural features of flavonoids for aldehyde oxidase inhibition


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دانشگاه علوم پزشکی تبریز
دانشگاه علوم پزشکی تبریز

نویسندگان: سیاوش دستمالچی

کلمات کلیدی: Aldehyde oxidase; Enzyme inhibition; Molecular docking; QSAR; Vanillin

نشریه: 3035 , 10 , 347 , 2014

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نویسنده ثبت کننده مقاله سیاوش دستمالچی
مرحله جاری مقاله تایید نهایی
دانشکده/مرکز مربوطه مرکز تحقیقات بیوتکنولوژی(زیست فناوری)
کد مقاله 59394
عنوان فارسی مقاله In Vitro and in Silico studies to explore structural features of flavonoids for aldehyde oxidase inhibition
عنوان لاتین مقاله In Vitro and in Silico studies to explore structural features of flavonoids for aldehyde oxidase inhibition
ناشر 5
آیا مقاله از طرح تحقیقاتی و یا منتورشیپ استخراج شده است؟ بلی
عنوان نشریه (خارج از لیست فوق)
نوع مقاله Original Article
نحوه ایندکس شدن مقاله ایندکس شده سطح یک – ISI - Web of Science
آدرس لینک مقاله/ همایش در شبکه اینترنت http://onlinelibrary.wiley.com/doi/10.1002/ardp.201400076/epdf

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Aldehyde oxidase (AO), an important enzyme in the biotransformation of drugs and xenobiotics, is inhibited by flavonoids. This enzyme can metabolize both aldehydes and N-heterocycles. In this work, a set of 15 flavonoids was assessed for inhibitory activity on the AO oxidation of vanillin as an aldehyde substrate. Spectrophotometrically determined IC50 values showed that myricetin, quercetin, and epicatechin were the most potent inhibitors. The results also revealed that the inhibition of vanillin oxidation by flavonoids was stronger than that of phenanthridine oxidation (an N-heterocyclic substrate) as reported previously. In order to investigate the important structural features responsible for the inhibitory effects of the studied flavonoids, a quantitative structure-activity relationship (QSAR) analysis was performed. This study showed that the size of the flavonoids was the most important factor inversely affecting their potencies. The QSAR model can be used more broadly to predict the AO inhibitory activity of flavonoid-like structures for application in food-drug and drug-drug interaction studies. © 2014 Wiley-VCH Verlag GmbH & Co. KGaA.

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سیاوش دستمالچیچهارم

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