以2-氯硒基-苯甲酰氯(1)为原料,在二氯甲烷溶液中与不同类型的胺(2a^2r)反应,合成了18个依布硒啉衍生物3a^3r(3i为新化合物),其结构经1 H NMR,13 C NMR和HR-MS(ESI)表征。利用分子对接技术预测了化合物3a^3r与甲硫氨酸氨肽酶2(MetAP2)5...以2-氯硒基-苯甲酰氯(1)为原料,在二氯甲烷溶液中与不同类型的胺(2a^2r)反应,合成了18个依布硒啉衍生物3a^3r(3i为新化合物),其结构经1 H NMR,13 C NMR和HR-MS(ESI)表征。利用分子对接技术预测了化合物3a^3r与甲硫氨酸氨肽酶2(MetAP2)5D6E蛋白的亲和活性,并采用MTT法研究了化合物对食管癌细胞(EC109)的体外增殖抑制活性。结果表明:浓度为100μg·mL-1时,2-(2-氯乙氧基-乙基)-1,2-苯并异硒唑-3(2 H)-酮(3r)对EC109的增殖有良好的抑制活性,抑制率32%。展开更多
A new biosensor platform was explored for detection of surfactant based on fluorescence changes from single strand DNA （ssDNA） and single-walled carbon nanotubes （SWNTs）. Thermodynamics assay was performed to valu...A new biosensor platform was explored for detection of surfactant based on fluorescence changes from single strand DNA （ssDNA） and single-walled carbon nanotubes （SWNTs）. Thermodynamics assay was performed to value the stability of probe. The affinities of SWNT to five common surfactants （SDS, DBS, Triton X-100, Tween-20 and Tween-80） were investigated by real-time fluorescence method. The effects of Mg^2＋ and pH on the fluorescence intensity of self-assembled quenched sensor were performed. The fluorescent emission spectra were used to measure the responses of self-assembled quenched fluorescent of ssDNA/SWNTs to different concentration surfactant（Triton X-100）. The FAM-DNA wrapped SWNTs probe was stable in a wide temperature range （5 ℃ to 80℃）. The binding strength of surfactants and single-stranded DNA （ssDNA） on SWNTs surfaces was shown as follows： Triton X-100〉DBS〉Tween-20〉Tween-80〉ssDNA〉SDS, and the optimized reaction conditions included pH 7.4 and 10 mmol/L Mg2＋. The fluorescence of FAM-ssDNA wrapped SWNTs was proportionally recovered as a result of adding different concentrations of Triton X- 100, which realizes the quantitative detection of Triton X- 100.展开更多
文摘以2-氯硒基-苯甲酰氯(1)为原料,在二氯甲烷溶液中与不同类型的胺(2a^2r)反应,合成了18个依布硒啉衍生物3a^3r(3i为新化合物),其结构经1 H NMR,13 C NMR和HR-MS(ESI)表征。利用分子对接技术预测了化合物3a^3r与甲硫氨酸氨肽酶2(MetAP2)5D6E蛋白的亲和活性,并采用MTT法研究了化合物对食管癌细胞(EC109)的体外增殖抑制活性。结果表明:浓度为100μg·mL-1时,2-(2-氯乙氧基-乙基)-1,2-苯并异硒唑-3(2 H)-酮(3r)对EC109的增殖有良好的抑制活性,抑制率32%。
基金Projects (21075032, 21005026, 21135001) supported by the National Natural Science Foundation of ChinaProject (llJJ5012) supported by Hunan Provincial Natural Science Foundation, China
文摘A new biosensor platform was explored for detection of surfactant based on fluorescence changes from single strand DNA （ssDNA） and single-walled carbon nanotubes （SWNTs）. Thermodynamics assay was performed to value the stability of probe. The affinities of SWNT to five common surfactants （SDS, DBS, Triton X-100, Tween-20 and Tween-80） were investigated by real-time fluorescence method. The effects of Mg^2＋ and pH on the fluorescence intensity of self-assembled quenched sensor were performed. The fluorescent emission spectra were used to measure the responses of self-assembled quenched fluorescent of ssDNA/SWNTs to different concentration surfactant（Triton X-100）. The FAM-DNA wrapped SWNTs probe was stable in a wide temperature range （5 ℃ to 80℃）. The binding strength of surfactants and single-stranded DNA （ssDNA） on SWNTs surfaces was shown as follows： Triton X-100〉DBS〉Tween-20〉Tween-80〉ssDNA〉SDS, and the optimized reaction conditions included pH 7.4 and 10 mmol/L Mg2＋. The fluorescence of FAM-ssDNA wrapped SWNTs was proportionally recovered as a result of adding different concentrations of Triton X- 100, which realizes the quantitative detection of Triton X- 100.
文摘基于VHSE(Principal component score vector of hydrophobic,steric,and electronic properties)结构表征方法,采用支持向量机结合遗传算法变量筛选技术,分别建立B*5701和B*5801多肽亲和活性的分类预测模型,其最优线性模型内部验证的灵敏度(Sensitivity,Sen)、特异性(Specificity,Spe)、接受者操作特征曲线下面积(Area under receiver operating characteristics curve,AUC)和马休斯相关系数(Matthews coefficient of correlation,MCC)分别为77.29%、93.99%、93.02%、67.65%(B*5701)和78.08%、89.62%、88.34%、64.73%(B*5801);外部验证的Sen、Spe、AUC和MCC分别为80.02%、94.53%、94.62%、72.09%(B*5701)和77.43%、90.79%、87.98%、66.20%(B*5801)。依据最优模型,分别对B*5701和B*5801配体的亲和特性进行了细致的比较和分析,研究结果可为Abacavir的HLA-B*5701限制性药物毒副作用(Serious Adverse Drug Reactions,SADR)机理研究提供重要的参考依据。
