Scoring functions: A view from the bench

Computational approaches to drug design are presently hindered by the complexity of the physical chemistry which underlies weak, non- covalent interactions between protein targets and small molecule ligands. Although a number of programs are now available for the design of novel potential ligands, it remains a key problem to rank these rapidly and reliably by estimated binding affinity. Such a step is necessary to select only the most promising candidates for synthesis and experimental characterisation. To calculate ligand affinity quickly and reliably is an extremely difficult problem, but it may well prove possible to estimate sufficiently accurately given an appropriate set of parameters to score individual protein–ligand interactions. Improvements in the situation will require a wider set of thermodynamically characterised systems than is currently available.     

线型碳链LiC_(2n)Li的结构和电子光谱的密度泛函理论研究

应用密度泛函理论,在B3LYP/6 31G(d)水平上优化得到了线型簇合物LiC2nLi(n=1 ~10,D∞h)的基态平衡几何构型,并计算了它们的谐振动频率.利用含时密度泛函理论,计算了簇合物LiC2nLi的X1∑ +g→11∑ +u跃迁的垂直激发能,以及相应的振子强度.基于计算结果,建立了跃迁能和体系大小n的解析关系式. 同时也计算了体系的第一绝热电离能,讨论了体系的电离能与体系大小n的关系.     

Exploring bioanalytical applications of assisted protein reassembly

Reassembly of protein from its peptide fragments is a technique that can have many applications in the bioanalytical field. Typically, a reporter protein fragmented into its two peptides is employed as a label in this study. This fragments of peptide can reassemble yielding an active functional reporter. This reassembly of the protein can be assisted by non-covalently interacting peptides or proteins, which are attached to the fragmented reporter. This technique has been employed in several applications including study of protein–protein interactions, antibody screening, immunoassays, and high-throughput screening. This review focuses on different reporters employed in the study of reassembly of proteins and applications of this strategy in bioanalysis.     

Bioanalytical methods applied to endocrine disrupting polychlorinated biphenyls, polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans. A review

The usual methods for determining polychlorinated dibenzo-p-dioxins (PCDD), polychlorinated dibenzofurans (PCDF) and polychlorinated biphenyls (PCB) are generally expensive and time consuming. This fact has favored the development of faster and cheaper techniques, based on immunoassays and bioassays. This paper reviews these bioanalytical methods and their analytical importance at the present moment.     

基于PiggyBac转座系统的低溢漏诱导型Tet-On过表达体系的建立及应用

为避免诱导基因稳定表达的Tet-On诱导表达系统溢漏表达,实现简便且高效的外源基因稳定诱导表达, 本研究拟在Tet-On调控的转录水平基础上,将基于稳定配体Shield-1的不稳定结构域FK506结合蛋白引入目的基因的N端,从蛋白水平控制其本底表达水平.为验证该系统的效果,本研究以荧光蛋白TdTomato为报告基因,经流式分析结果证明优化后的体系较原体系的溢漏表达在蛋白水平上降低7倍左右.将该系统应用于基于小鼠胚胎干细胞的体外牙向分化模型,在诱导因子Dox和稳定配体Shield-1的协同作用下,诱导表达牙齿发育相关转录因子Hand2提高了牙向分化诱导的完成度.     

蛋白质组学技术在动物科学中的研究进展

蛋白质组学在后基因组时代以其独特的角度和重要的作用已成为生命科学领域研究的热点内容。动物科学作为生命科学的一个重要分支,其相关研究对人类的生活有着重要意义。为了系统地了解和展望蛋白质组学技术在动物科学中的研究进展,综述了蛋白质组学的概念及其相关技术,归纳和评析了近年来蛋白质组学在动物繁殖、营养、遗传育种和疾病防治方面的研究现状。     

论明清石湾陶艺的美学特色

明清是石湾陶艺创作风格、艺术特色的奠基时期。明清石湾陶艺注重表现,富有生活气息,简约质朴,豪放自然,尤其在人物眼神与衣纹的刻划、“素胎烧制”等艺术表现技巧方面所作出的探索,终经后来历代艺人的发扬光大,已成为今天石湾陶艺所特有的“有意味的形式”,并展示出强烈的艺术魅力。     

孕激素相关子宫内膜蛋白在胃癌早期诊断、预后中的作用

为使用生物信息学系统分析孕激素相关子宫内膜蛋白(Progestagen-associated endometrial protein, PAEP)在胃癌中的早期诊断和预后预测性能及免疫浸润相关性,该研究构建预测模型ROC曲线和偏差校正曲线检验其性能准确性,并通过细胞实验进一步验证分析结果.生信分析结果显示,与正常组织相比,胃癌组织中PAEP的表达较高,在早期（T1期、N0期、M0期）即有统计学意义（P＜0.001）,且诊断胃癌的准确性较高（ROC曲线下面积为0.889）;PAEP高表达的胃癌患者预后较差（P≤0.001）;TNM分期越晚,年龄越大,PAEP表达越高,胃癌患者生存概率越低,偏差校正曲线接近理想曲线（45°线）,显示预测结果良好;PAEP的表达与胃癌中的中性粒细胞、巨噬细胞的浸润水平呈正相关趋势,与B细胞、中央记忆型T细胞、T细胞呈显著的负相关趋势.qRT-PCR和Western blot结果显示,HGC-27、BGC-823、MKN-45、SGC-7901和AGS细胞中PAEP基因转录水平和蛋白表达水平均显著高于GES-1. 结果表明了PAEP 蛋白可用于胃癌诊断和预后的生物标志物,并进行了实验验证,其机制与免疫有关.     

山羊血液蛋白多态性的研究动态

综述了山羊血液蛋白多态性的研究动态,较详细地介绍了山羊血液生化遗传标记的研究现状及其在山羊育种中的应用,并对其应用前景作了展望     

Cloning, construction of prokaryotic expression vector and expression ofEscherichia coli cytosine deaminase gene

Cytosine deaminase gene ofEscherichia coli strain H-30 was cloned, and its initiation codon of ‘GTG’ was mutated to ‘ATG’ by PCR. Prokaryotic recombinant expression vector pBV220-CD was constructed. Clone with high enzyme activity were selected by detecting their specific activity of cytosine deaminase. 5-FC(5-FC, 5-fluorocytosine) could induce the lethal toxicity to cells containing active CD gene. DNA sequence analysis indicated that there were 16 altered bases and 5 of them resulted in the alteration of amino acids in predicted peptide by comparing DNA sequence of the clone H-30-CD-11 with high enzyme activity with CD gene reported in Gene Bank.