A CRITICAL STUDY ON THE INTERACTIONS OF HESPERITIN WITH HUMAN HEMOGLOBIN: FLUORESCENCE SPECTROSCOPIC AND MOLECULAR MODELING APPROACH.
A CRITICAL STUDY ON THE INTERACTIONS OF HESPERITIN WITH HUMAN HEMOGLOBIN: FLUORESCENCE SPECTROSCOPIC AND MOLECULAR MODELING APPROACH.
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DOI：
10.1016/j.jlumin.2012.01.021
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发表时间：
2012-06
影响因子：
3.6
通讯作者：
Sengupta B
中科院分区：
文献类型：
--
作者：
Chakraborty S;Chaudhuri S;Pahari B;Taylor J;Sengupta PK;Sengupta B
橙皮素是一种广泛存在于柑橘类水果中的生物活性类黄酮，具有抗氧化、抗癌、降血脂、血管保护等重要的治疗作用。本研究利用稳态和时间分辨荧光光谱、远紫外圆二色（CD）光谱，结合分子模拟计算，探讨了橙皮素与正常人血红蛋白（HbA）的相互作用。通过类黄酮诱导的静态猝灭证实了类黄酮与HbA的特异性相互作用，稳态荧光和寿命数据证明了这一点。温度依赖性荧光测量和分子对接研究表明，除了氢键和范德华相互作用外，静电相互作用在橙皮素- hba相互作用中也起着至关重要的作用。此外，静电表面电位计算表明，由于存在几种赖氨酸和组氨酸残基，HbA中的橙皮素结合位点呈强烈阳性。
Hesperitin, a ubiquitous bioactive flavonoid abundant in citrus fruits is known to possess antioxidant, anti-carcinogenic, hypolipidemic, vasoprotective and other important therapeutic properties. Here we have explored the interactions of hesperitin with normal human hemoglobin (HbA), using steady state and time resolved fluorescence spectroscopy, far UV circular dicroism (CD) spectroscopy, combined with molecular modeling computations. Specific interaction of the flavonoid with HbA is confirmed from flavonoid-induced static quenching which is evident from steady state fluorescence as well as lifetime data. Both temperature dependent fluorescence measurements and molecular docking studies reveal that apart from hydrogen bonding and van der Waals interactions, electrostatic interactions also play crucial role in hesperitin-HbA interactions. Furthermore, electrostatic surface potential calculations indicate that the hesperitin binding site in HbA is intensely positive due to the presence of several lysine and histidine residues.
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DOI：
10.1016/j.bbrc.2005.11.019
发表时间：
2006-01-06
影响因子：
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作者：
Sengupta, B;Uematsu, T;Swenson, J
通讯作者：
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