A5083403060- SARS-CoV-2 and COVID-19 Research
- Computational Drug Discovery Methods
- Influenza Virus Research Studies
- vaccines and immunoinformatics approaches
- Immune Response and Inflammation
- Immune Cell Function and Interaction
- Antimicrobial Peptides and Activities
- Pharmacological Effects and Toxicity Studies
- Pneumonia and Respiratory Infections
- Viral gastroenteritis research and epidemiology
- thermodynamics and calorimetric analyses
- HIV/AIDS drug development and treatment
- COVID-19 Clinical Research Studies
- Machine Learning in Bioinformatics
- Respiratory viral infections research
- Advanced biosensing and bioanalysis techniques
- RNA and protein synthesis mechanisms
- Monoclonal and Polyclonal Antibodies Research
- Adipose Tissue and Metabolism
- Autoimmune and Inflammatory Disorders Research
- Phagocytosis and Immune Regulation
- Biochemical and Structural Characterization
- Viral Infections and Immunology Research
- Meta-analysis and systematic reviews
- Transgenic Plants and Applications
Vaxine (Australia)
2020-2024
Flinders University
2020-2024
Jacobi Medical Center
2024
Amity University
2021
University of Rajasthan
2021
Maharshi Dayanand University
2013-2016
The devastating impact of the COVID-19 pandemic caused by SARS-coronavirus 2 (SARS-CoV-2) has raised important questions about its origins and mechanism transfer to humans. A further question was whether companion or commercial animals could act as SARS-CoV-2 vectors, with early data suggesting susceptibility is species specific. To better understand susceptibility, we undertook an in silico structural homology modelling, protein-protein docking, molecular dynamics simulation study spike...
Toll-like receptor (TLR)-7 agonists are immunostimulatory vaccine adjuvants. A systematic structure-activity relationship (SAR) study of TLR7-active 1-benzyl-2-butyl-1
Vaccines are key in charting a path out of the COVID-19 pandemic. However, development new vaccines is highly dependent on availability analytical methods for their design and evaluation. This paper highlights challenges presented having to rapidly develop vaccine tools during an ongoing pandemic, including need address progressive virus mutation adaptation which can render initial assays unreliable or redundant. It also discusses potential computational modeling techniques model analyze...
Important: e-prints posted on arXiv are not peer-reviewed by arXiv; they should be relied upon without context to guide clinical practice or health-related behavior and reported in news media as established information consulting multiple experts the field.
Better adjuvants are needed for vaccines against seasonal influenza. TLR7 agonists potent activators of innate immune responses and thereby may be promising adjuvants. Among the imidazoquinoline compounds, 1-benzyl-2-butyl-1H-imidazo[4,5-c]quinolin-4-amine (BBIQ) was reported to a highly active agonist but has remained relatively unexplored because its commercial unavailability. Indeed, in silico molecular modeling studies predicted that BBIQ had higher docking score binding free energy than...
Repurposing of existing drugs and drug candidates is an ideal approach to identify new potential therapies for SARS-CoV-2 that can be tested without delay in human trials infected patients. Here we applied a virtual screening using Autodock Vina molecular dynamics simulation tandem calculate binding energies repurposed against the RNA-dependent RNA polymerase (RdRp). We thereby identified 80 promising compounds with activity SARS-Cov2, consisting mixture antiviral drugs, natural products...
We urgently need to identify drugs treat patients suffering from COVID-19 infection. Drugs rarely act at single molecular targets. Off-target effects are responsible for undesirable side and beneficial synergy between targets specific illnesses. They have provided blockbuster drugs, e.g., Viagra erectile dysfunction Minoxidil male pattern baldness. Existing those in clinical trials, approved natural products constitute a rich resource of therapeutic agents that can be quickly repurposed, as...
Repurposing of existing drugs is a rapid way to find potential new treatments for SARS-CoV-2. Here, we applied virtual screening approach using Autodock Vina and molecular dynamic simulation in tandem screen calculate binding energies repurposed against the SARS-CoV-2 helicase protein (non-structural nsp13). Amongst top hits from our study were antivirals, antihistamines, antipsychotics, plus range other drugs. Approximately 30% 87 had published evidence indicating vivo or vitro activity....
Evaluation of the anti-Leishmanial activity imidazoquinoline-based TLR7/8 agonists.
Drugs against novel targets are needed to treat COVID-19 patients, especially as SARS-CoV-2 is capable of rapid mutation. Structure-based de novo drug design and repurposing drugs natural products a rational approach discovering potentially effective therapies. These in silico simulations can quickly identify existing with known safety profiles that be repurposed for treatment. Here, we employ the newly identified spike protein free fatty acid binding pocket structure candidates potential...
Toll-like receptors (TLRs) act as the “sentinel” of immune system to link innate responses with adaptive immunity. TLR7 agonists are highly immunostimulatory and can be exploited powerful vaccine adjuvants. A structure-activity relationship study was conducted on TLR7-active imidazoquinoline (IMDQ) scaffold, starting 1-benzyl-2-butyl-1H-imidazo[4,5-c]quinolin-4-amine (BBIQ) a lead structure. systematic exploration electron withdrawing well donating substituents at para-position benzyl group...
Lipopeptides including diacylated Pam2CSK4 as well triacylated Pam3CSK4 act ligands of toll-like receptor (TLR)-2, a promising target for the development vaccine adjuvants. The highly investigated and Pam3CSK4, despite their aqueous solubility have not performed adjuvants which may be attributable to potential denaturation protein antigens by these cationic surfactant-like lipopeptides. In present investigation, we synthesized (R), (S) racemic Pam2CS(OMe) analogs N-acetyl derivatives without...
Abstract Background and objectivesMeta-analysis is a statistical procedure which enables the researcher to integrate results of various studies that were conducted for same purpose. However, more often than not, researchers find themselves in position unable proceed further due complexity mathematics involved unavailability raw data. To alleviate said difficulty, we are presenting tool will enable process data.MethodsThe GUI written python. The offers an automated conversion obtainment mean...
The structure-function correlation of membrane proteins have been a difficult task, particularly in context to transient protein complexes. molecular simulation ternary complex Rab7::REP1::GGTase-II was carried out understand the basic structural events occurring during prenylation event Rab proteins, using software YASARA. study suggested that C-terminus Rab7 has be completely extended conformation reach active site RabGGTase-II. Also, attempt made find putative drug binding sites on...
Repurposing of existing drugs is a rapid way to find potential new treatments for SARS-CoV-2. Here we applied virtual screening approach using Autodock Vina and molecular dynamic simulation in tandem screen calculate binding energies repurposed against the SARS-CoV-2 helicase protein (non-structural nsp13). Amongst top hits from our study were antivirals, antihistamines, antipsychotics plus range other drugs. Approximately 30% 87 had published evidence indicating vivo or vitro activity. Top...
Abstract The development of a safe and effective vaccine is key requirement to overcoming the COVID-19 pandemic. Recombinant proteins represent most reliable approach but generally require suitable adjuvant for robust durable immunity. We used SARS-CoV-2 genomic sequence in silico structural modelling design recombinant spike protein (Covax-19™). A synthetic gene encoding extracellular domain (ECD) was inserted into baculovirus backbone express insect cell cultures. ECD formulated with...
Epithelial ovarian cancer remains one of the leading variants gynecological with a high mortality rate. Feasibility and technical competence for screening detection epithelial remain major obstacle development point care diagnostics (POCD) may offer simple solution monitoring its progression. Cathepsins have been implicated as biomarkers progression metastasis; being protease, it has an inherent tendency to interact Cystatin C, cysteine protease inhibitor. This interaction was assessed...
<h3>Background:</h3> Sepsis is a leading cause of mortality in hospitalized patients. Autoimmune rheumatic disease (ARD) patients have an elevated risk due to their immune dysfunction, and immunomodulating therapy. Diagnosing sepsis ARD challenging, as dysfunction can mask symptoms. Delays diagnosis treatment contribute increased risk. This study aims bridge knowledge gaps, comparing outcomes non-ARD <h3>Objectives:</h3> To explore individuals with compared without ARD, using large database...