In silico toxicology prediction is an extremely challenging area because many toxicological effects are a result of changes in multiple physiological processes. In this article we discuss limitations and strengths of these in silico tools. Additionally, we look at different parameters that are necessary to make the best use of these tools, and also how to gain acceptance outside the modelling c...

Background: Non-coding RNAs apply regulations on expression or function of a gene. A class of non-coding RNAs, natural antisense transcripts, might overlap with their flanking genes and emerge a new complexity upon regulation. WRAP53, is a natural antisense transcript overlapped in a head-to-head manner on the opposite strand of TP53. It has 3 transcripts of which WRAP53β produ...

An elevated cholesterol level might lead to cardiovascular disease (CVD). Statins block the cholesterol synthesis pathway in the liver. Atorvastatin is the most widespread statin worldwide and, its chemical synthesis requires toxic catalysts, resulting in environmental pollution. Hence, enzymatic synthesis of atorvastatin is desirable. This process could be done by Lactobacillus kefir ...

We introduce biomimetic in silico devices, and means for validation along with methods for testing and refining them. The devices are constructed from adaptable software components designed to map logically to biological components at multiple levels of resolution. In this report we focus on the liver; the goal is to validate components that mimic features of the lobule (the hepatic primary fun...

Modeling and simulation in pharmacokinetics has has turned into the focus of pharmaceutical companies, driven by the emerging consensus that in silico predictions combined with in vitro data have the potential of significantly increasing insight into pharmacokinetic processes. To adequately support in silico methodology, software tools need to be user-friendly and, at the same time, flexible. I...

In this work, we reported the synthesis and evaluation of antimycobacterial and antifungalactivity of a series of thiocarbohydrazone derivatives which are thiacetazone congeners. Thetarget compounds were synthesized in superior yields by reacting thiocarbohydrazide withdifferent aromatic aldehydes and methyl ketones. Compounds 8, 19 and 25 were found to bethe most potent derivatives, exhibiting...

An elevated cholesterol level might lead to cardiovascular disease (CVD). Statins block the cholesterol synthesis pathway in the liver. Atorvastatin is the most widespread statin worldwide and, its chemical synthesis requires toxic catalysts, resulting in environmental pollution. Hence, enzymatic synthesis of atorvastatin is desirable. This process could be done by Lactobacillus kefir ...

Brucella melitensis, as a pathogenic gram-negative intracellular bacterium, causes brucellosis in animals and humans. According to literature, the B. melitensis outer membrane protein 31 (Omp31) is considered as an important vaccine candidate against brucellosis. The aim of the current study was to compare three different expression constructs containing B. melitensis Omp31 antigen using bioinf...

Driven by advancements in high-throughput biological technologies and the growing number of sequenced genomes, the construction of in silico models at the genome scale has provided powerful tools to investigate a vast array of biological systems and applications. Here, we review comprehensively the uses of such models in industrial and medical biotechnology, including biofuel generation, food p...