Network Modeling Analysis in Health Informatics and Bioinformatics Network Modeling Analysis in Health Informatics and Bioinformatics RSS feedThis is an RSS file. You can use it to subscribe to this data in your favourite RSS reader or to display this data on your own website or blog.

Network-based approach to understand dynamic behaviour of Wnt signaling pathway regulatory elements in colorectal cancer
AbstractSystems biology helps to understand the intricate biological processes through the regulatory and metabolic mechanism. Modeling and simulation are the computational approaches to encounter the physiological and disease processes by means of an artificial environment that precisely mimics the conditions inside the cell. A large proportion of colorectal cancers (CRC) display mutational inactivation of the variety of pathways and Wnt-signaling is thought to be one of the major contributors from all the pathways that show progression towards CRC. In our study, we have performed a computational analysis to envisage the ...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - September 7, 2018 Category: Bioinformatics Source Type: research

Prediction of drug solubility on parallel computing architecture by support vector machines
AbstractRecent great advances in the field of high-performance computing offer new opportunities in bioinformatics, computational chemistry, and computational biology. In this paper, we use the computational methods, for instance, the support vector machines (SVM) to optimize the prediction of solubility of compounds. SVMs are trained with known data of soluble and insoluble compounds of a database, and such information is subsequently used to improve the prediction obtained by virtual screening technique. The use of larger databases increases the probability generating leads or hits, the necessary calculation time increas...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - August 23, 2018 Category: Bioinformatics Source Type: research

Decoding methylation patterns in ovarian cancer using publicly available Next-Gen sequencing data
AbstractOvarian cancer (OC), one of the most frequent forms of cancer among women all over the world, inflicts a substantial danger to the health of human beings. An in-depth comprehension of its latent processes at the molecular level is the answer to evolving successful earmarked therapies. For an effective genomic assay, deep transcriptional sequencing has been used via Next-generation sequencing tools which are beneficial in studying OC and its related counterparts. ChIP-Seq data for a malignant and benign specimen of OC underwent comparison, and identification of differential peaks were carried out based on fold chang...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - August 14, 2018 Category: Bioinformatics Source Type: research

In silico modelling of quantitative structure –activity relationship of multi-target anticancer compounds on k-562 cell line
AbstractThe pGI50 cytotoxicity values of 112 compounds on K-562 cancer cell line were modeled to illustrate the quantitative structure –activity relationship (QSAR) of the compounds. The dataset were divided into training and test set through Kennard-stone algorithm, while the pool of molecular descriptors calculated with paDEL descriptor metric program was subjected to the genetic functional algorithm (GFA) for selection of desc riptor to be modeled. The best QSAR model developed was then subjected to a rigorous statistical test. The statistical significance of the model was verified by calculating the values ofQ2LOO (0...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - May 23, 2018 Category: Bioinformatics Source Type: research

2D finite-element analysis of calcium distribution in oocytes
AbstractOocyte and egg provide an excellent model system for studying calcium patterns. Calcium signal is a transient increase of intracellular calcium concentration which influences different cellular processes among a variety of different cells. The change in calcium concentration transmits information through an organized set of spatio-temporal changes, localized transients or puffs, calcium wave propagation, and global oscillations. During oocyte maturation, the calcium signalling machinery undergoes differentiation which results in distinctly different calcium release patterns on all organizational scales from puffs t...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - May 18, 2018 Category: Bioinformatics Source Type: research

Structure-based optimization of tyrosine kinase inhibitors: a molecular docking study
AbstractThe most common pharmacologic approaches to inhibiting EGFR have been to develop small-molecule inhibitors which exert their effects at the intracellular portion of the receptor to prevent tyrosine kinase phosphorylation and subsequent activation of signal transduction pathways. A non-covalent molecular docking study was carried-out between 119 NCI anticancer compounds with receptor tyrosine kinase domain from epidermal growth factor receptor (PDB ID: 1M14), out of which 11 compounds had binding energy calculated with monte Carlo algorithm in ICM-pro Molsoft< − 25.25 kcal/mol. was found to have highest bin...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - May 16, 2018 Category: Bioinformatics Source Type: research

A new insight into identification of in silico analysis of natural compounds targeting GPR120
AbstractG-protein coupled receptor (GPR120) is an omega-3 fatty acid receptor that inhibits macrophage-induced tissue inflammation. Recent studies revealed GPR120 promotes colorectal carcinoma through modulation of VEGF, IL-8, PGE2, and NF-kB expression. However, three-dimensional structure of GPR120 is not yet available in Protein Data Bank (PDB). In the present study, we focused on a 3-D structural model of GPR120 has been constructed using homology modeling techniques. The structural quality of the predicted GPR120 model was verified using Procheck, Whatif, ProSA, and Verify 3D. After this chemical database of natural c...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - May 14, 2018 Category: Bioinformatics Source Type: research

Molecular docking, MD simulation, DFT and ADME-toxicity study on analogs of zerumbone against IKK- β enzyme as anti-cancer agents
AbstractThe inhibitor of kappaB kinase beta (IKK- β) is an important target for the therapeutic treatment of cancer and inflammatory diseases. On the other hand, zerumbone an isolate fromZingiber zerumbet has become an important molecule for targeting various cancer drug targets and enzyme. Although zerumbone is also a good inhibitor of IKK- β, its usage is limited because of its bioavailability problem. Hence, the objective of this investigation focuses on discovering new analogs of zerumbone with better bioavailability. The study involves DFT-based molecular docking and molecular dynamics simulation studies on zerumbon...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - May 9, 2018 Category: Bioinformatics Source Type: research