發(fā)布時(shí)間：2018-03-11 08:02

  本文選題：拉米夫定　切入點(diǎn)：依非韋倫　出處：《中國(guó)藥房》2017年01期 　論文類型：期刊論文

【摘要】：目的:研究拉米夫定、依非韋倫、替諾福韋與牛血清白蛋白(BSA)的相互作用及其機(jī)制。方法:通過(guò)熒光光譜法研究不同溫度下不同濃度的拉米夫定、依非韋倫、替諾福韋與BSA的結(jié)合反應(yīng),分別測(cè)定其熒光強(qiáng)度,根據(jù)Stern-Volmer方程等公式計(jì)算動(dòng)態(tài)猝滅常數(shù)(KSV)、表觀猝滅常數(shù)(Kq)、結(jié)合常數(shù)(KA)、結(jié)合位點(diǎn)(n)和熱力學(xué)焓變(ΔH)、自由能變(ΔG)、熵變(ΔS),并運(yùn)用Sybyl6.7 Flex X模塊建立這3種藥物與BSA的分子對(duì)接模型。結(jié)果:3種藥物與BSA相互作用的Kq均大于2.0×1010L/(mol·s),且隨溫度的升高而降低,n均接近于1,其熱力學(xué)函數(shù)ΔG0、ΔS0、ΔH0。分子對(duì)接模型顯示,3種藥物主要與BSA的Sudlow部位Ⅰ亞結(jié)構(gòu)域發(fā)生結(jié)合。結(jié)論:3種藥物與BSA之間存在相互作用,熒光猝滅方式以靜態(tài)猝滅為主,結(jié)合反應(yīng)為自發(fā)分子作用過(guò)程,結(jié)合作用力均以氫鍵和范德華力為主。熒光試驗(yàn)和分子對(duì)接研究結(jié)果一致,兩者可相互補(bǔ)充。
[Abstract]:Objective: to study the interaction and mechanism of lamivudine, efoviridine, tenofovir with bovine serum albumin (BSA). The binding reaction of tenofovir with BSA was used to determine the fluorescence intensity of tenofovir. According to the formula of Stern-Volmer equation, the dynamic quenching constants, the apparent quenching constants, the apparent quenching constants, the binding constants and the thermodynamic enthalpy change (螖 H ~ (1), free energy change (螖 G ~ (1)), entropy variation (螖 S ~ (2)) are calculated, and the molecular pairs of the three drugs with BSA are established by using the Sybyl6.7 Flex X module. Results the Kq of the three drugs interacting with BSA was larger than 2.0 脳 10 ~ (10) L / L / mol 路s ~ (-1), and decreased with the increase of temperature, and the thermodynamic functions 螖 G _ 0, 螖 S _ 0, 螖 H _ (0) were close to 1. The molecular docking model showed that the three drugs mainly interacted with the Sudlow site 鈪，

本文編號(hào)：1597276