Network Modeling Analysis in Health Informatics and Bioinformatics This 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.

Improved identification of core biomarkers and drug repositioning for ovarian cancer: an integrated bioinformatics approach
In this study, we introduced a rule for modification of outlier to improve the performance of biomarker selection methods. We employed the proposed procedure on simulated and three publicly available ovarian cancer gene expression datasets, and improved performance of the proposed procedure was observed. We identified 226 differentially expressed genes (DEGs) overlapped i n 3 proposed modified microarray OC datasets using LIMMA in R. These DEGs were underwent Gene Ontology analysis and revealed apoptotic signaling and programmed cell death as an important biological process. The pathway enrichment analysis showed molecular...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - September 10, 2020 Category: Bioinformatics Source Type: research

Reconstruction of 5D cardiac MRI through the blood flow registration: simulation of the fifth dimension and assessment of the left ventricular ejection fraction
This study included 18 patients who underwent 1.5  T cardiac MRI for different etiologies: a total of 395 series and 18,483 scans was tested. The estimated values with the classical method of segmentation by contour with extreme (LVFE) in the sample was compared. A registration algorithm was implemented, with mean elapsed time registration = 0 .5 s. The range of (LVFE) varied between [20 and 87%] shows that the results are satisfactory for the experts by comparing with the clinical assessment for the study of the anomalies of myocardial contractility and kinetic abnormalities and the error rate was significantly redu...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - September 8, 2020 Category: Bioinformatics Source Type: research

In silico evaluation of inhibitory potential of novel triazole derivatives against therapeutic target myristoyl-CoA: protein N -myristoyltransferase (NMT) of Candida albicans
AbstractThis paper explores the confluence of genetic algorithm-multiple linear regression (GA-MLR) based quantitative structure –activity relationship (QSAR) modeling and molecular docking simulation studies relevant to the novel and effective triazole derivatives as NMT inhibitors in an attempt to develop superior antifungal activity coupled with less susceptibility to develop resistance. Initially, thirteen penta-variant models were generated through hybrid GA-MLR based QSAR approach. Eventually, a general pooled model was derived through the collective consideration of all the descriptors incorporated in the stated t...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - August 19, 2020 Category: Bioinformatics Source Type: research

RxBlock: Towards the design of a distributed immutable electronic prescription system
AbstractBlockchains have received much hype lately and researchers and developers are seeking unique and innovative uses for this new technology. The medical field is no exception, specifically pharmaceutical uses for blockchains. To this effect, this proposed research aims to design a secure and efficient electronic prescription system leveraging blockchain technology. Using the unique properties of blockchains, the proposed application (RxBlock) seeks to explore how a blockchain could be used in electronic prescriptions. The proposed application createsan immutable ledger of transactions  occurring over a network. This ...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - August 9, 2020 Category: Bioinformatics Source Type: research

QSAR modeling of anti-HIV activity for DAPY-like derivatives using the mixture of ligand-receptor binding information and functional group features as a new class of descriptors
AbstractAn accurate QSAR model was developed for the prediction of the anti-HIV activities of a set of DAPY-like derivatives as new non-nucleoside reverse transcriptase inhibitors (NNRTIs). The ligand –receptor (LR) interactions for all compounds were studied by the docking of compounds in the active site of appropriate receptors. The binding information of LR complexes at the best pose was called the molecular docking descriptors (MDDs). The mixture of 10 MDDs with about 154 simple, functional group counts was used as a new group of descriptors in the QSAR study of DAPY-like compounds. Among the 164 mixed descriptors, s...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - August 9, 2020 Category: Bioinformatics Source Type: research

A COVID-19 infection risk model for frontline health care workers
In this study, we formulate a theoretical model to calculate the risk of being infected in health care facilities considering the following factors: the average number of encounters with a suspected COVID-19 patient per hour; interaction time for each encounter; work shift duration or exposure time; crowd density, which may depend on the amount of space available in a given location; and availability and effectiveness of protective gears and facilities provided for the frontline health care workers. Based on the simulation results, a set of risk assessment criteria is proposed to classify risks as ‘low’, ‘moderate’...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - August 7, 2020 Category: Bioinformatics Source Type: research

Molecular docking suggests repurposing of brincidofovir as a potential drug targeting SARS-CoV-2 ACE2 receptor and main protease
AbstractThe current outbreak of the highly transmittable and life-threatening severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has evolved rapidly and posed a global health emergency. Many clinical trials are now being conducted to test possible therapies. To assist this, virtual screening via molecular docking was performed on several FDA-approved drugs, previously used in epidemics, and the top ten compounds were selected. These ten well-characterized drugs, previously used to treat malaria and Ebola infections, were screened based on their interactions with the SARS-CoV-2 ACE2 receptor and 3C-like protease. ...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - August 7, 2020 Category: Bioinformatics Source Type: research

Network-based disease gene prioritization based on Protein –Protein Interaction Networks
AbstractThe process to identify genes responsible for a disease is a complex task. The various experimental techniques developed to identify disease-causing genes suffer from the problem of high-cost and high time consumption. Thus, with the increasing amount of biological information available online various computational techniques have been developed to complete this complex task of identification of disease-causing genes. A more accepted view is that the genes related to similar diseases reside in the same neighborhood of the molecular network. In this review, various categories of computational techniques for disease ...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - August 5, 2020 Category: Bioinformatics Source Type: research

In silico molecular studies of natural compounds as possible anti-Alzheimer ’s agents: ligand-based design
This study focused on virtual screening of ~ 33,000 natural compounds to find potential BACE1 inhibitors. Multiple ligands pharmacophore model was generated using PHASE to screen retrieved compounds against a four-site (ADDR) hypothesis. Molecular docking was performed to predict the binding status of the natural compounds. Based on binding affinity, the top eight compounds were chosen for further analysis. The docked complexes were analyzed for binding free energy using PRIME MM/GBA calculation. The compounds were filtered for drug-likeness using ADME/TOX (absorption, distribution, metabolism, excretion and toxicity) pr...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - August 3, 2020 Category: Bioinformatics Source Type: research

LM-ANN-based QSAR model for the prediction of pEC 50 for a set of potent NNRTI using the mixture of ligand –receptor interaction information and drug-like indexes
AbstractA combination of ligand –receptor interactions and drug-like indexes have been used to develop a quantitative structure–activity relationship model to predict anti-HIV activity (pEC50) of 73 azine derivatives as non-nucleoside reverse transcriptase inhibitors. Ligand –receptor interactions were derived from the best position (best pose) of studied compounds, as ligands, in the active site of receptors using Autodock 4.2 software and named as molecular docking descriptors. The drug-like indexes were calculated using DRAGON 5.5 software. Two groups of descriptor s were mixed, and the stepwise regression method ...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - July 23, 2020 Category: Bioinformatics Source Type: research

Correction to: A multi ‑target approach for discovery of antiviral compounds against dengue virus from green tea
In results and discussion section, the description of figures was revised as follows. In the case of NS1-Compound-1 complex, consider an additional contact of Glu12 (Fig.  1a), in case of NS1-Compound-2 complex, six instead of four residues were involved in contact (Fig. 1b). In case of RDRP-Compound-1 complex, seven instead of three hydrogen bonds were formed (Fig. 1d), while in case of RDRP Compound-2 complex nine instead of seven hydrogen bonds were recorded (F ig. 1e). In case of MTD-complex 1 consider an addition contact of Leu17 (Fig. 1g). (Source: Network Modeling Analysis in Health Informatics and Bioinformatics)
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - July 22, 2020 Category: Bioinformatics Source Type: research

Self ‐care management importance in kidney illness: a comprehensive and systematic literature review
AbstractKidney illness is a key problem for individuals ’ health across the world and a significant reason for death, too. Therefore, education and management are essential for prevention and treatment. Promoting self-management through improving patient self-efficacy may have lasting advantages as the management of kidney disease will bring positive r esults for the patient. However, the count of patients having incorrect self‐care conducts is still growing even with constant health education. Knowledge and self‐efficacy are the main parameters affecting self‐care conduct. Nevertheless, there are very few works on...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - July 16, 2020 Category: Bioinformatics Source Type: research

Identification of vital regulatory genes with network pathways among Huntington ’s, Parkinson’s, and Alzheimer’s diseases
AbstractIn the world, Huntington ’s disease, Parkinson’s disease, and Alzheimer’s disease are reported as the most deadly diseases to issue common disorders for human beings. In state-of-the-art works, it is well studied that Huntington’s disease (HD) and Parkinson’s disease (PD) are affected by genetic factors and common motor system disorder, respectively. On the other hand, Alzheimer’s disease (AD) is a neurodegenerative disorder which is categorized by age-related dementia, behavioral changes, and memory loss, etc. In the literature, it is also identified that lots of similar genetic factors are interrelate...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - July 15, 2020 Category: Bioinformatics Source Type: research

Structure-based virtual screening, molecular docking and dynamics studies of natural product and classical inhibitors against human dihydrofolate reductase
AbstractFolate antagonists are classified as important and valuable therapeutic agents against infection, neoplastic, and inflammatory diseases. Dihydrofolate reductase (DHFR) is a biological target of two well-defined folate antagonists, classical and non-classical inhibitors. DHFR catalyzes the reduction of 7,8-dihydrofolate to 5,6,7,8-tetrahydrofolate benefits of NADPH as a cofactor. With the point to recognize new chemicals to be utilized for further structure-based drug design, a collection of 67753 molecules including chemicals and natural products have been screened through the docking method from the Zinc Database....
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - July 11, 2020 Category: Bioinformatics Source Type: research

Multiple sclerosis: an associated single-nucleotide polymorphism study on Egyptian population
This study was applied over an Egyptian dataset of 38 MS patients and 35 controls. Hence, different models were applied, Dom inant, Recessive and Genotypic models along with Fisher’s Exact method, Basic case–control analysis and Logistic regression analysis. This paper shows that the SNPs rs1625579, rs57095329, rs767649 and rs3027898 are associated with MS (p value  <  0.05) according to all tested models except for Recessive model, that has add-in the relevance of rs1625579, rs57095329, rs2910164 and rs767649 with MS disease. (Source: Network Modeling Analysis in Health Informatics and Bioinformatics)
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - July 7, 2020 Category: Bioinformatics Source Type: research