湖北八角莲属植物过氧化物酶同工酶分析

用聚丙烯酰胺凝胶电泳分离湖北八角莲属４种植物的过氧化物酶同工酶,并采用薄层扫描和排序分析法,对其亲缘关系进行了比较分析。结果表明,六角莲与八角莲、小八角莲、乌云伞的亲缘关系较远。小八角莲、八角莲与乌云伞亲缘关系较近,同时还为乌云伞作为一个独立种提供了佐证。     

On A Six-Dimensional Representation of RNA Secondary Structures

Abstract

In this paper, we proposed a 6-D representation of RNA secondary structures. The use of the 6-D representation is illustrated by constructing structure invariants. Comparisons with the similarity/dissimilarity results based on 6-D representation for a set of RNA secondary structures, are considered to illustrate the use of our structure invariants based on the entries in derived sequence matrices restricted to a selected width of a band along the main diagonal.     

Comparison of protein secondary structures based on backbone dihedral angles

In this article, we propose a relatively similar measure to compare protein secondary structures. We first transform a protein secondary structure into a special sequence representation (angle sequence) based on a partition of the backbone φ,ψ-space. Then, pairwise sequence distance is evaluated on the basis of a symbolic sequence complexity. To illustrate our approach, we construct the similarity tree of 24 proteins from PDB.     

Ranking and clustering of Drosophila olfactory receptors using mathematical morphology

This article introduces an alignment-free clustering method in order to cluster all the 66 DORs sequentially diverse protein sequences. Two different methods are discussed: one is utilizing twenty standard amino acids (without grouping) and another one is using chemical grouping of amino acids (with grouping). Two grayscale images (representing two protein sequences by order pair frequency matrices) are compared to find the similarity index using morphology technique. We could achieve the correlation coefficients of 0.9734 and 0.9403 for without and with grouping methods respectively with the ClustalW result in the ND5 dataset, which are much better than some of the existing alignment-free methods. Based on the similarity index, the 66 DORs are clustered into three classes - Highest, Moderate and Lowest - which are seen to be best fitted for 66 DORs protein sequences. OR83b is the distinguished olfactory receptor expressed in divergent insect population which is substantiated through our investigation.     

Validated biomechanical model for efficiency and speed of rowing

The speed of a competitive rowing crew depends on the number of crew members, their body mass, sex and the type of rowing—sweep rowing or sculling. The time-averaged speed is proportional to the rower?s body mass to the 1/36^th power, to the number of crew members to the1/9^th power and to the physiological efficiency (accounted for by the rower?s sex) to the 1/3^rd power. The quality of the rowing shell and propulsion system is captured by one dimensionless parameter that takes the mechanical efficiency, the shape and drag coefficient of the shell and the Froude propulsion efficiency into account. We derive the biomechanical equation for the speed of rowing by two independent methods and further validate it by successfully predicting race times. We derive the theoretical upper limit of the Froude propulsion efficiency for low viscous flows. This upper limit is shown to be a function solely of the velocity ratio of blade to boat speed (i.e., it is completely independent of the blade shape), a result that may also be of interest for other repetitive propulsion systems.     

Synthesis of methanesulphonamido-benzimidazole derivatives as gastro-sparing antiinflammatory agents with antioxidant effect

A series of 5-methanesulphonamido benzimidazole derivatives were designed by combining the structural features of clinically useful anti-inflammatory drugs (nimesulide and rofecoxib) and antiulcer drugs (lansoprazole, omeprazole, etc.) based on physicochemical and 3D similarity studies. The compounds were evaluated for their anti-inflammatory activity in carrageenan induced rat paw edema model taking rofecoxib and indomethacin as standard drugs. In vitro antioxidant activity of the compounds was assessed by potassium ferricyanide reducing power (PFRAP) assay. The compounds 9, 10 and 11 showed anti-inflammatory activity comparable to the standard group and were also non-ulcerogenic at the test doses. Compounds 6–11 exhibited good antioxidant effect in the concentration range (1.0–50.0 µmol/ml. Preliminary theoretical ADME profiling of the compounds based on computation of selected physicochemical properties showed an excellent compliance with Lipinski’s rule.     

闽西北不同类型毛竹林养分分布及生物循环特征

以福建省永安市集约经营的毛竹纯林(Ⅰ)、竹阔混交林(Ⅱ)和竹针混交林(Ⅲ)3种类型林分为研究对象,对其N、P、K、Ca、Mg元素分布格局及生物循环特征进行了研究。结果表明,毛竹林N、P、K、Ca、Mg5种养分元素的排列顺序为土壤层乔木层凋落物层灌木层草本层,其中土壤层(0～60cm)养分累积量占系统养分总量99%。3种林分养分元素累积量的排列顺序为ⅡⅠⅢ,分别为146196.59、144466.35和105002.59kg.hm-2,其中植被层养分累积量的排列顺序为ⅠⅡⅢ,凋落物层和土壤层养分累积量排列顺序为ⅡⅠⅢ,竹阔混交林土壤层和凋落物层养分累积量最高,立地生产潜力最大。林分Ⅰ和Ⅱ的养分利用系数显著高于林分Ⅲ,反映了林分维持高生产力需要消耗更多的养分元素;循环系数排列顺序为ⅢⅡⅠ,竹针混交林和竹阔混交林维持林木生长所需的养分元素少于毛竹纯林;毛竹纯林养分周转时间最长,竹阔混交林次之,竹针混交林最短,分别为31.89年、12.39年和12.23年,混交林周转时间显著低于毛竹纯林。竹阔混交林既有较高的生产力,又有较强的养分归还能力,是一种较好的经营方式。     

Molecular dynamics simulations reveal structural insights into inhibitor binding modes and mechanism of casein kinase II inhibitors

Casein kinase-II, a member of protein kinase family, plays significant role in different cellular processes such as cell growth, differentiation, proliferation, gene expression, and embryogenesis. Being a potent suppressor of apoptosis, it serves as a significant link for its association with various types of malignancies such as colorectal and breast cancer. To overcome its pathological role in various cancerous diseases, CK-II procures great consideration as a therapeutic target. This study aimed at understanding the binding mechanism and structural properties of benzimidazole derivatives by utilizing various computational tools including docking simulation, three-dimensional quantitative structure activity relationships and molecular dynamic simulation. Structure-based 3D-QSAR techniques such as CoMFA and CoMSIA models, were established from the conformations gained by protein–ligand docking approach. The attained models have showed a good extrapolative power for internal as well as external validation. Moreover, MD simulation was carried out to explain the detailed binding mechanism and the comparison of inhibitor’s binding mode with diverse biological activities. A good correlation was observed among docking studies, MD results, and contour map analysis. Interestingly new molecules were designed using detail structural information from MD simulation, showed higher potency of inhibition (pIC₅₀ 7.6–7.7) compare to the most active compound of the series.     

Sample Size Requirements for Evaluation of Bridging Evidence

This paper addresses issues concerning methodologies on the sample size required for statistical evaluation of bridging evidence for a registration of pharmaceutical products in a new region. The bridging data can be either in the Complete Clinical Data Package (CCDP) generated during clinical drug development for submission to the original region or from a bridging study conducted in the new region after the pharmaceutical product was approved in the original region. When the data are in the CCDP, the randomized parallel dose‐response design stratified to the ethnic factors and region will generate internally valid data for evaluating similarity concurrently between the regions for assessment of the ability of extrapolation to the new region. Formula for sample size under this design is derived. The required sample size for evaluation of similarity between the regions can be at least four times as large as that needed for evaluation of treatment effects only. For a bridging study conducted in the new region in which the data of the foreign and new regions are not generated concurrently, a hierarchical model approach to incorporating the foreign bridging information into the data generated by the bridging study is suggested. The sample size required is evaluated. In general, the required sample size for the bridging trials in the new region is inversely proportional to equivalence limits, variability of primary endpoints, and the number of patients of the trials conducted in the original region.