accurate protein function prediction is an important subject in bioinformatics, especially wheresequentially and structurally similar proteins have different functions. malate dehydrogenaseand l-lactate dehydrogenase are two evolutionary related enzymes, which exist in a widevariety of organisms. these enzymes are sequentially and structurally similar and sharecommon active site residues, spati...

derivatives of phenyl-keto butenoic acids have been reported to be inhibitors of pyruvate decarboxylase, (pdc). the inhibition of transketolase, a thiamine requiring enzyme such as pdf, by meta nitrophenyl derivative of 2-oxo-3-butenoic acid (mnpb) is reported here. these studies indicate that the inhibitor binds to the enzyme at the active site. a two-step inhibition was observed, first the in...

the enzyme rhodanese (thiosulfate: cyanide sulfurtransferase) is a ubiquitous enzyme and its activity ispresent in all living organisms. many functions including cyanide detoxification, formation of iron-sulfurcenters and participation in energy metabolism have been attributed to this enzyme. the enzyme catalyzesthe transfer of a sulfur atom from sulfane containing compounds (such as thiosulfat...

in this paper, the structural properties of c20 and c12b8 fullerene interacting with glycine based onthree active sites of glycine and one c atom or one b atom in c12b8 were analyzed through thedensity functional theory. it was found out that the binding of glycine to c12b8 generated a complex.our results were extremely relevant in order to identify the potential applications of functionalizedc...

furin is a ca 2+ -dependent serine protease which cleaves proprotein substrates at the arg-xaa-(lys/arg)-arg    site to generate biologically active proteins. furin’s critical role in many cellular events associated with health disorders such as hiv, sars, anthrax, and influenza as well as cancer has made inhibitors of this enzyme as therapeutic targets. to this date, the most potent inhibitor ...

The pandemic influenza AH1N1 (2009) caused an outbreak of human infection that spread to the world. Neuraminidase (NA) is an antigenic surface glycoprotein, which is essential to the influenza infection process, and is the target of anti-flu drugs oseltamivir and zanamivir. Currently, NA inhibitors are the pillar pharmacological strategy against seasonal and global influenza. Although mutations...

heterogeneous ziegler-natta and homogeneous metallocene catalysts exhibit greatly different active sitenature in olefin polymerization. in our previous study, it was reported that mgcl2-supported titanocenecatalysts can generate both ziegler-natta-type and metallocene-type active sites according to the type of activators.the dual active site nature of the supported titanocene catalysts was furt...

Heterogeneous Ziegler-Natta and homogeneous metallocene catalysts exhibit greatly different active sitenature in olefin polymerization. In our previous study, it was reported that MgCl2-supported titanocenecatalysts can generate both Ziegler-Natta-type and metallocene-type active sites according to the type of activators.The dual active site nature of the supported titanocene catalysts was furt...