16 research outputs found
Psychological problems when implementing an information system
Many problems related to information systems implementation are psychological rather than technical. It is necessary to adapt good enough to the current situation in the business to avoid bad user reactions. One of the most important quality factors of an information system is user acceptance. Information system implementation projects have been historically bothered by failures for which user resistance has been identified as an important reason. A poor adaptation of old data may cause user frustration. But the most important problem perhaps is how to deal with the people and know their psychological constraints involved in the system change, their lack of competence And also their reluctance to accept the new system. A poorly designed system interface also becomes an obstacle for the users and they would become more unwilling to tolerate it. This study presents a theoretical and empirical understanding of user acceptance during the implementation of an information system and provides suggestions to an individual and also organizations for tackling such resistance and enhances user satisfaction.Program: Magisterutbildning i informati
In silico prediction, molecular modeling, and dynamics studies on the targeted next-generation sequencing identified genes underlying congenital heart disease in Down syndrome patients
Background : Individuals with Down syndrome (DS) have a 40%–60% chance of being born with congenital heart disease (CHD). This indicates that CHD in individuals with DS is not solely caused by trisomy 21, and there may be other genetic factors contributing to the development of CHD in these children. A study has identified variants in the specific genes that contribute to the pathogenesis of CHD in children with DS, isolated DS, and the CHD group. Computational studies on these identified variants, which, together with trisomy 21, determine the risk for CHD in DS cases, were limited. Here, we aimed to identify the impact of the identified variants that contribute to the pathogenesis of CHD in children with DS through in silico prediction, molecular modeling, and dynamics studies.
Methodology and Results : The target single-nucleotide polymorphisms included in the study were examined for pathogenicity, residue conservation, and protein structural changes. The structural predictions were done using I-TASSER, Robetta, SWISS-MODEL, and Phyre2 tools. Further, the predicted models were validated through the PROCHECK server and molecular dynamics simulation using GROMACS software. The conservation analysis conducted on the identified variant highlights its significance in relation to the genetic disorders. Furthermore, a dynamics simulation study revealed the impact of the variant on protein structural stability (≤3 Å), providing valuable insights into its pathogenicity. We have also observed that the structure of the centrosomal protein of 290 kDa gene is relatively unstable, which may be attributed to its exclusive inclusion of helices within its secondary structural components.
Conclusions : This computational study explores, for the first time, the association between genes and CHD-DS, evaluating the identified specific frameshift variants. The observed pathogenic mutations in CHD-DS patients require further experimental validation and may contribute to the development of prospective drug design research. The insights gained from the structural and functional implications of these variants could potentially serve as a cornerstone in the development of effective treatments for this debilitating condition
Molecular Docking, Dynamics Simulations, ADMET, and DFT Calculations: Combined In Silico Approach to Screen Natural Inhibitors of 3CL and PL Proteases of SARS-CoV-2
Considering natural compounds for the antiviral effect is another opportunity for exploring novel drug candidates for severe acute respiratory syndrome coronavirus 2. The selected natural compounds were interacted using a molecular docking approach. The 3D structures of the main protease and papain-like protease were used for the virtual screening to detect the potent inhibitor against SARS-CoV-2. The top-scored compounds were further analyzed for absorption, digestion, metabolism, excretion, and toxicity properties and density functional theory analysis. Our results indicated that glycyrrhizin exhibited better docking scores of -9.5 kcal/mol with main protease and -9.7 kcal/mol with papain-like protease. Next to glycyrrhizin, rutin showed a better docking score of -9.1 kcal/mol and -9.2 kcal/mol with 3-chymotrypsin-like and papain-like proteases. Violaxanthin and naringin occupied the subsequent position in the docking score table with 3CL and PL proteases, respectively. In addition, the crucial properties like drug likeliness and pharmacokinetics of the compounds were determined. There is no significant toxicity identified
Hybrid of Metapenaeus dobsoni lectin and platinum nanoparticles exert antimicrobial and immunostimulatory effects to reduce bacterial bioburden in infected Nile tilapia
Abstract A novel antibacterial immunostimulant using Platinum nanoparticles (PtNPs) and lectin from Metapenaeus dobsoni (Md-Lec) was developed. The Md-Lec and PtNPs (Pt-lec) hybrid formed through non-covalent interaction exhibits antimicrobial activity against fish specific pathogens by affecting membrane integrity and producing excess reactive oxygen species. The therapeutic efficacy of Pt-lec was demonstrated through rescuing Aeromonas hydrophila infected Nile Tilapia. Pt-lec prevents the infection spreading and reduces the bacterial bioburden in less than 12 h, and as a result of this the fish were restored to normalcy. To assess immunostimulation, we studied the expression of three different immune related genes, namely LEC, Myd88 and COX-2 in the gills, liver, spleen and kidney of fish under various experimental conditions. Our results showed that Pt-lec treatment appeared to be better when compared to lectin alone in enhancing the expression of Myd88 and COX-2, but LEC was not as expected. These results suggest that Pt-lec has the ability to protect Nile Tilapia against bacterial infection by restricting bacterial bioburden through their direct effects on the bacterial membrane and indirectly through their effects on host immune-related gene expression. This hybrid could have potential “green” application in fish farming in rescuing infected animals when compared to widely and unregulated antibiotics
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Not AvailableInfectious laryngotracheitis (ILT) is one of the highly infectious and contagious diseases of chickens caused by Gallid Herpesvirus 1, a member of the genus Iltovirus. It is an economically important disease in major poultry producing countries, including India. Despite India having large population of poultry birds, very limited information is available on the disease magnitude and molecular epidemiology. We screened 560 tissue samples collected from necropsied cases of tracheitis and conjunctivitis to diagnose ILT by histopathology, immunohistochemistry and polymerase chain reaction. Out of 560 samples, ILT was diagnosed in 90 (16.07%) cases by histopathology; however, polymerase chain reaction detected ILT virus (ILTV) in 128 (22.85%). Immu-nohistochemistry of representative PCR positive tissues (n=30) from trachea, lungs and conjunctiva detected viral antigen in the lining or denuded epithelial cells in 76.66% (23/30) cases. Analysis of age wise occurrence of ILT cases in our study revealed 47.65% in adult birds over 18 weeks of age, 35.15% in grower birds aged between 7 and18 weeks of age, 17.18% in chicks aged less than 6 weeks. Nucleotide sequence of gene encoding viral thymidine kinase revealed involvement of vaccine and virulent strains of ILTV in the investigated cases. Based on our findings and recent publications, we conclude that there is resurgence or re-emergence of ILT in the chicken flocks in different parts of India, indicating a possible biosecurity breach. Further genetic characterization of virus by whole genome sequencing technologies would decipher the genotype circulating in India, and help to design suitable native vaccine candidate(s).Not Availabl
In silico Molecular Docking Analysis Targeting SARSCoV-2 Spike Protein and Selected Herbal Constituents
In modern drug discovery, molecular docking analysis is routinely used to understand and predict
the interaction between a drug molecule and a target protein from a microbe. Drugs identified in
this way may inhibit the entry and replication of pathogens in host cells. The SARS-CoV-2 associated
coronavirus disease, COVID-19, has become the most contagious and deadly pandemic disease in the
world today. In abeyance of any specific vaccine or therapeutic against SARS-CoV-2, the burgeoning
situation urges a need for effective drugs to treat the virus-infected patients. Herbal medicines have
been used as natural remedies for treating various infectious diseases since ancient times. The spike
(S) protein of SARS-CoV-2 is important for the attachment and pathogenesis of the virus. Therefore,
this study focused on the search of useful ligands for S protein among active constituents present in
common herbs that could serve as efficient remedies for COVID-19. We analysed the binding efficiency
of twelve compounds present in common herbs with the S protein of SARS-CoV-2 through molecular
docking analysis and also results are validated with two different docking tools. The binding efficiency
of ligands was scored based on their predicted pharmacological interactions coupled with binding
energy estimates. In docking analysis, compound “I” (Epigallocatechin gallate (EGCG)) was found to
have the highest binding affinity with the viral S protein, followed by compounds, “F” (Curcumin),“D”
(Apigenin) and “E” (Chrysophanol). The present study corroborates that compound “I” (EGCG) mostly
present in the integrants of green tea, shows the highest potentiality for acting as an inhibitor of SARSCoV-2. Further, characterization of the amino acid residues comprising the viral binding site and the
nature of the hydrogen bonding involved in the ligand-receptor interaction revealed significant findings
with herbal compound “I” (EGCG) binding to the S protein at eight amino acid residues. The binding
sites are situated near to the amino acids which are required for virus pathogenicity. The findings of
the present study need in vivo experiments to prove the utility of “I”, “F”,“D” and “E” compounds and
their further use in making herb-based anti-SARS-CoV-2 product in near future. This analysis may help
to create a new ethno-drug formulation for preventing or curing the COVID-19
Global Status of COVID-19 Diagnosis: An Overview
Since the beginning of the New Year 2020, countries around the world are stumbling due to the
coronavirus disease (COVID-19) pandemic. Better approaches of diagnostics and medical facilities
have helped some countries recover early. Previous exposures to epidemics have imparted lessons to
handle such a pandemic with a high level of preparedness. The World Health Organization (WHO) and
national health authorities are taking great efforts via efficient and impactful interventions to contain
the virus. Diagnostic tests such as reverse transcription-polymerase chain reaction are increasingly
being used to confirm the diagnosis because testing biological samples for the presence of the virus
is the definitive method to identify the disease, analyze the risk for transmission, and determine
whether someone has been cured or not. It is also important to screen asymptomatic individuals
to get the exact overview of the virus spread. Antibody detection plays a pivotal role in diagnosis;
however, using it at the wrong time yields negative results and conveys dissenting opinion about the
tests. Although the scaling up of testing has been significant, overall testing has been limited by the
availability of diagnostics. Rapid diagnoses and discontinuation of transmission are keys to ending
this pandemic. Diagnostics manufacturers are developing test kits and distributing them to different
countries. Therefore, more than 500 commercial test kits for molecular- and immunoassays, most with
Emergency Use Authorization, are now becoming available in the market. In this review, we discuss
the importance of diagnostics, approaches of different countries toward the epidemic, global testing
situation, and lessons to countries at the start of the epidemic for better preparedness
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Not AvailableWe describe the first report on spontaneous Avian Nephritis Virus (ANV) and Infectious Bronchitis Virus (IBV) concurrent infection in broiler chicks. On necropsy, the kidneys were found swollen with its parenchyma and ureters stuffed with urate flakes. Histopathologically, the renal tubular damage and inflammatory response were severe in concurrently infected birds compared to the cases infected only with ANV, which had direct correlation with significantly (p < 0.001) increased expression of IL-1 β, IL-4, IL-12, IL-13, iNOS and IFN-γ transcripts in the kidneys of concurrently infected birds. Relative decrease in IFN-β transcript levels in the concurrently infected birds indicates suppression of antiviral response; the iNOS level was manifold increased which can be attributed to the enhanced macrophage response. Nucleotide sequencing of S1-spike glycoprotein gene of IBV and RNA dependent RNA polymerase gene of ANV confirmed etiologies as Igacovirus of Gammacoronavirus and ANV-2 of Avastrovirus 2, respectively. Both ANV and IBV virus affect kidneys. Our findings suggested that concurrent infections of these two viruses might have enhanced the transcripts of Th1, Th2 and proinflammatory cytokines with reduced IFN-β transcripts resulting in decreased host innate antiviral mechanisms leading to exacerbated renal lesions. Future experimental co-infection studies could throw more lights on pathology and pathogenesis during concurrent infections of ANV and IBV in poultry.Not Availabl