【摘要】：以間甲氧基肉桂酸、對(duì)位取代的苯甲醛為原料,設(shè)計(jì)合成了2種未見報(bào)道的肉桂酸肟酯類衍生物,并用MS、IR、1H NMR、13C NMR進(jìn)行結(jié)構(gòu)表征。采用分子對(duì)接技術(shù)和熒光光譜法、紫外-可見光譜法、位點(diǎn)競(jìng)爭(zhēng)法研究了2種衍生物分別和人血清白蛋白(HSA)相結(jié)合的機(jī)理。通過Stern-Volmer方程等處理熒光猝滅相關(guān)數(shù)據(jù)得到了衍生物與HSA相互作用的結(jié)合常數(shù)和熱力學(xué)參數(shù)。結(jié)合紫外-可見光譜對(duì)兩種衍生物與HSA的相互作用進(jìn)行了進(jìn)一步的分析,結(jié)果表明在體外生理?xiàng)l件下,衍生物都可以與HSA結(jié)合,對(duì)HSA內(nèi)源熒光產(chǎn)生靜態(tài)猝滅并對(duì)其構(gòu)象產(chǎn)生影響,其主要的結(jié)合力為氫鍵和范德華力。位點(diǎn)競(jìng)爭(zhēng)實(shí)驗(yàn)表明衍生物與HSA相互作用都發(fā)生在Sudlow site 1(亞域ⅡA)處。以上實(shí)驗(yàn)結(jié)果均驗(yàn)證了分子模擬對(duì)實(shí)驗(yàn)的預(yù)測(cè)。
[Abstract]:Using m-methoxycinnamic acid and p-substituted benzaldehyde as raw materials, two derivatives of oxime cinnamate esters were designed and synthesized, and their structures were characterized by MS,IR,1H NMR,13C NMR. The binding mechanism of the two derivatives to human serum albumin (HSA) was studied by molecular docking technique, fluorescence spectroscopy, UV-vis spectroscopy and site competition method. The binding constants and thermodynamic parameters of the interaction between the derivatives and HSA were obtained by processing the fluorescence quenching data by Stern-Volmer equation. The interaction between the two derivatives and HSA was further analyzed by UV-vis spectroscopy. The results showed that both derivatives could bind to HSA under physiological conditions in vitro. The static quenching and conformation of HSA were induced by endogenous fluorescence. The main binding forces were hydrogen bond and van der Waals force. Site competition test showed that the interaction between derivatives and HSA occurred at the site of Sudlow site-1 (subdomain 鈪，

本文編號(hào)：2460649