Abstract: Reverse engineering of genetic regulatory network involves the modeling of the given gene expression data into a form of the network. Computationally it is possible to have the relationships between genes, so called gene regulatory networks (GRNs), that can help to find the genomics and proteomics based diagnostic approach for any disease. In this paper, clustering based method has been used to reconstruct genetic regulatory network from time series gene expression data. Supercoiled data set from Escherichia coli has been taken to demonstrate the proposed method.
Abstract: In this work we report the recent progresses that have been achieved by our group in the last half decade on the field of computational proteomics. Specifically, we discuss the application of Molecular Dynamics Simulations and Electronic Structure Calculations in drug design, in the clarification of the structural and dynamic properties of proteins and enzymes and in the understanding of the catalytic and inhibition mechanism of cancer-related enzymes. A set of examples illustrate the concepts and help to introduce the reader into this important and fast moving field.
Abstract: Proteomics is one of the largest areas of research for
bioinformatics and medical science. An ambitious goal of proteomics
is to elucidate the structure, interactions and functions of all proteins
within cells and organisms. Predicting Protein-Protein Interaction
(PPI) is one of the crucial and decisive problems in current research.
Genomic data offer a great opportunity and at the same time a lot of
challenges for the identification of these interactions. Many methods
have already been proposed in this regard. In case of in-silico
identification, most of the methods require both positive and negative
examples of protein interaction and the perfection of these examples
are very much crucial for the final prediction accuracy. Positive
examples are relatively easy to obtain from well known databases. But
the generation of negative examples is not a trivial task. Current PPI
identification methods generate negative examples based on some
assumptions, which are likely to affect their prediction accuracy.
Hence, if more reliable negative examples are used, the PPI prediction
methods may achieve even more accuracy. Focusing on this issue, a
graph based negative example generation method is proposed, which
is simple and more accurate than the existing approaches. An
interaction graph of the protein sequences is created. The basic
assumption is that the longer the shortest path between two
protein-sequences in the interaction graph, the less is the possibility of
their interaction. A well established PPI detection algorithm is
employed with our negative examples and in most cases it increases
the accuracy more than 10% in comparison with the negative pair
selection method in that paper.
Abstract: Globin superfamily proteins including myoglobin and
hemoglobin, have welcome new members recently, namely,
cytoglobin, neuroglobin and globin X, though their physiological
functions are still to be addressed. Fish are the excellent models for the
study of these globins, but their characteristics have not yet been
discussed to date. In the present study, attempts have been made to
characterize their structural uniqueness by making use of proteomics
approach. This is the first comparative study on the characterization of
globin superfamily proteins from fish.
Abstract: Supplementation of palm vitamin E has been reported
to prevent loss of bone density in ovariectomised female rats. The
mechanism by which palm vitamin E exerts these effects is still
unknown. We hypothesized that palm vitamin E may act by
preventing the protein expression changes. Two dimensional poly
acyrilamide gel electrophoresis (2-D PAGE) and PD Quest software
genomic solutions Investigator (proteomics) was used to analyze the
differential protein expression profile in femoral and humeri bones
harvested from three groups of rats; sham-operated rats (SO),
ovariectomised rats (Ovx) and ovariectomised rats supplemented for
2 months with palm vitamin E. The results showed that there were
over 300 valued spot on each of the groups PVE and OVX as
compared to about 200 in SO. Comparison between the differential
protein expression between OVX and PVE groups showed that ten
spots were down –regulated in OVX but up-regulated in PVE. The
ten differential spots were separately named P1-P10. The
identification and understanding of the pathway of the differential
protein expression among the groups is ongoing and may account for
the molecular mechanism through which palm vitamin E exert its
anti-osteoporotic effect.
Abstract: The study of proteomics reached unexpected levels of
interest, as a direct consequence of its discovered influence over some
complex biological phenomena, such as problematic diseases like
cancer. This paper presents the latest authors- achievements regarding
the analysis of the networks of proteins (interactome networks), by
computing more efficiently the betweenness centrality measure. The
paper introduces the concept of betweenness centrality, and then
describes how betweenness computation can help the interactome net-
work analysis. Current sequential implementations for the between-
ness computation do not perform satisfactory in terms of execution
times. The paper-s main contribution is centered towards introducing
a speedup technique for the betweenness computation, based on
modified shortest path algorithms for sparse graphs. Three optimized
generic algorithms for betweenness computation are described and
implemented, and their performance tested against real biological
data, which is part of the IntAct dataset.
Abstract: The study of proteomics reached unexpected levels of
interest, as a direct consequence of its discovered influence over
some complex biological phenomena, such as problematic diseases
like cancer. This paper presents a new technique that allows for an
accurate analysis of the human interactome network. It is basically
a two-step analysis process that involves, at first, the detection of
each protein-s absolute importance through the betweenness centrality
computation. Then, the second step determines the functionallyrelated
communities of proteins. For this purpose, we use a community
detection technique that is based on the edge betweenness
calculation. The new technique was thoroughly tested on real biological
data and the results prove some interesting properties of those proteins that are involved in the carcinogenesis process. Apart from its
experimental usefulness, the novel technique is also computationally
effective in terms of execution times. Based on the analysis- results, some topological features of cancer mutated proteins are presented
and a possible optimization solution for cancer drugs design is suggested.
Abstract: The two-dimensional gel electrophoresis method
(2-DE) is widely used in Proteomics to separate thousands of proteins
in a sample. By comparing the protein expression levels of proteins in
a normal sample with those in a diseased one, it is possible to identify
a meaningful set of marker proteins for the targeted disease. The major
shortcomings of this approach involve inherent noises and irregular
geometric distortions of spots observed in 2-DE images. Various
experimental conditions can be the major causes of these problems. In
the protein analysis of samples, these problems eventually lead to
incorrect conclusions. In order to minimize the influence of these
problems, this paper proposes a partition based pair extension method
that performs spot-matching on a set of gel images multiple times and
segregates more reliable mapping results which can improve the
accuracy of gel image analysis. The improved accuracy of the
proposed method is analyzed through various experiments on real
2-DE images of human liver tissues.
Abstract: Tandem mass spectrometry (MS/MS) is the engine
driving high-throughput protein identification. Protein mixtures possibly
representing thousands of proteins from multiple species are
treated with proteolytic enzymes, cutting the proteins into smaller
peptides that are then analyzed generating MS/MS spectra. The
task of determining the identity of the peptide from its spectrum
is currently the weak point in the process. Current approaches to de
novo sequencing are able to compute candidate peptides efficiently.
The problem lies in the limitations of current scoring functions. In this
paper we introduce the concept of proteome signature. By examining
proteins and compiling proteome signatures (amino acid usage) it is
possible to characterize likely combinations of amino acids and better
distinguish between candidate peptides. Our results strongly support
the hypothesis that a scoring function that considers amino acid usage
patterns is better able to distinguish between candidate peptides. This
in turn leads to higher accuracy in peptide prediction.
Abstract: Ethanol is generally used as a therapeutic reagent against Hepatocellular carcinoma (HCC or hepatoma) worldwide, as it can induce Hepatocellular carcinoma cell apoptosis at low concentration through a multifactorial process regulated by several unknown proteins. This paper provides a simple and available proteomic strategy for exploring differentially expressed proteins in the apoptotic pathway. The appropriate concentrations of ethanol required to induce HepG2 cell apoptosis were first assessed by MTT assay, Gisma and fluorescence staining. Next, the central proteins involved in the apoptosis pathway processs were determined using 2D-PAGE, SDS-PAGE, and bio-software analysis. Finally the downregulation of two proteins, AFP and survivin, were determined by immunocytochemistry and reverse transcriptase PCR (RT-PCR) technology. The simple, useful method demonstrated here provides a new approach to proteomic analysis in key bio-regulating process including proliferation, differentiation, apoptosis, immunity and metastasis.