本文關(guān)鍵詞： 人血清白蛋白 熒光光譜 分子模擬技術(shù) 槲皮素 靜態(tài)猝滅 醫(yī)藥原料　出處：《精細(xì)化工》2017年12期 　論文類型：期刊論文

【摘要】：采用熒光光譜、紫外吸收光譜、分子模擬等技術(shù),研究了槲皮素與人血清白蛋白(HSA)相互作用的熱力學(xué)行為。熒光實驗結(jié)果表明:槲皮素與HSA相互作用時,隨著槲皮素的濃度從0增加到1.962×10~(-6)mol/L,HAS的熒光強(qiáng)度從844.3下降到461.4,最大發(fā)射波長由340.7 nm降低到338.6 nm,變化不明顯,并且隨著溫度從293 K升高到303 K,猝滅常數(shù)由4.66×10~5L/mol減小到2.69×10~5L/mol,說明槲皮素對HSA的內(nèi)源熒光有明顯的猝滅作用,猝滅機(jī)理為靜態(tài)猝滅。分子模擬結(jié)果顯示:槲皮素分子在HAS的Sudlow I位點和SudlowⅡ位點的結(jié)合最高積分分別為6.41和7.36,總能量分別為-37.01 k J/mol和-39.98 k J/mol,表明其在SudlowⅡ位點的結(jié)合能力較強(qiáng),且兩種結(jié)合的作用力主要為氫鍵作用(鍵能分別為-10.41 k J/mol和-12.34 k J/mol)。在位點Ⅰ和位點Ⅱ上,槲皮素分子與發(fā)光氨基酸殘基Trp214的質(zhì)心距離分別為1.36和2.40 nm。這與根據(jù)F9rster's非輻射能量轉(zhuǎn)移理論計算的平均距離3.04 nm結(jié)果基本吻合。
[Abstract]:The thermodynamic behavior of the interaction of quercetin with human serum albumin (HSA) was studied by means of fluorescence spectrum, UV absorption spectrum and molecular simulation. As the concentration of quercetin increased from 0 to 1.962 脳 10 ~ (-1) ~ (-1) mol / L ~ (-1), the fluorescence intensity decreased from 844.3 to 461.4, and the maximum emission wavelength decreased from 340.7 nm to 338.6 nm. The quenching constant decreased from 4.66 脳 10 ~ (5) L / mol to 2.69 脳 10 ~ (5) L / mol with the increase of temperature from 293K to 303K, indicating that quercetin has obvious quenching effect on endogenous fluorescence of HSA. The results of molecular simulation showed that the highest integrals of quercetin binding at Sudlow I site and Sudlow 鈪，

本文編號：1529544