Summary Whole genome sequencing (WGS) is being adopted in public health for improved surveillance and outbreak analysis. In public health, subtyping has been used to infer phenotypes and distinguish bacterial strain groups. In silico tools that predict subtypes from sequences data are needed to transition historical data to WGS-based protocols. Phylotyper is a novel solution for in silico subty...

Stress proteins HSP90 (Heat shock proteins) are essential molecular chaperones involved in signal transduction, cell cycle control, stress management, folding and degradation of proteins. HSP90 have been found in a variety of organisms including pathogens suggesting that they are ancient and conserved proteins. Here, using molecular modeling and docking protocols, antibiotic Geldenamycin and it...

Genetic aberrations of DNA repair enzymes are known to be common events and to be associated with different cancer entities. Aim of the following study was to analyze the genetic association of rs1136410 (Val762Ala) in PARP1 gene with the risk of breast cancer using genotypic assays and insilico structural predictions. Genotypic analysis of individual locus showed statistically significant asso...

Polyphenolic compounds posses vast number of biological activities and they are the inclusions of phytoconstituents of plant kingdom. Synthetic drugs used in the treatment of neurodegenerative disorders like Alzheimer’s disease is of only symptomatic and for not permanent cure over the progression of the disease. Beta secretase1(BACE1) is aspartic protease makes improper cleavage of amyloid pre...

Despite shortcomings, N,N-Diethyl-3-methylbenzamide (DEET) has remained the gold-standard of insect repellents for >60 years. There are significant impediments to finding improved substitutes because the molecular targets causing repellency are unclear, new chemistries will require significant human-safety testing, and predicted costs for development are exorbitant. Here we identify shared stru...

Petri nets are a widely used formalism to qualitatively model concurrent systems such as a biological cell. We present techniques for modelling biological processes as Petri nets for further analyses and insilico experiments. Instead of extending the formalism with ,,colours” or rates, as is most often done, we focus on preserving the simplicity of the formalism and developing an execution sema...

Microarray technology has become an integral part of biomedical research and increasing amounts of datasets become available through public repositories. However, re-use of these datasets is severely hindered by unstructured, missing or incorrect biological samples information; as well as the wide variety of preprocessing methods in use. The inSilicoDb R/Bioconductor package is a command-line f...