This study describes an attempt to develop a synthetic route using theoretical calculations, i.e., in silico synthesis route development. The KOSP program created four potential synthetic routes for generating 2,6-dimethylchroman-4-one. In silico screening of these four synthetic routes was then performed. In silico screening involves theoretical analysis of synthetic routes prior to actual exp...

clostridium botulinum type a (bont/a) produces a neurotoxin recently found to be useful as an injectable drug for the treatment of abnormal muscle contractions. the catalytic domain of this toxin which is responsible for the main toxin activity is a zinc metalloprotease that inhibits the release of neurotransmitter mediators in neuromuscular junctions. a cell penetrating cationic peptide, tat, ...

Academic researchers and many in industry often lack the financial resources available to scientists working in "big pharma." High costs include those associated with high-throughput screening and chemical synthesis. In order to address these challenges, many researchers have in part turned to alternate methodologies. Virtual screening, for example, often substitutes for high-throughput screeni...

Bacillus clausii TnrA transcription factor is required for global nitrogen regulation. In order to obtain anoverview of gene regulation by TnrA in B. clausii KSMK16, the entire genome of B. clausii was screened forthe consensus sequence, 5’-TGTNAN7TNACA-3’ known as the TnrA box, and 13 transcription units werefound containing a putative TnrA box. The TnrA targets identified in...