Drug Development

We work with the pharmaceutical industry in areas of drug target identification and drug candidate screening and refinement. We utilize computation biology algorithms to analyze high-throughput data such as genome, proteome, metabolome and transcriptome. The in silico analyses augment and supplement the in vitro and in vivo investigations. Some of the sample applications include
  • Evaluating the enzyme-substrate and protein-ligand interactions,
  • Exploring the regulation of gene expression by the cofactors, promoters, enhancers and inhibitors, 
  • Examining the role of post translation modifications of expressed proteins,
  • Determining the pathogenic epigenetic changes through histone (de)acetylation, (de)methylation and (de)phosphorylation,
  • Using mRNAs to identify antigenic targets for vaccines, i.e. reverse vaccinology,
  • Identifying and evaluating putative drug compounds while avoiding the potential dead-end candidates,
  • Assessing the bioavailability, bioactivity, potential toxicity and adverse reactions of the pharmaceuticals.
We go well beyond the simple parsing of nucleotide and peptide sequences. Instead, we model with the DNA and RNA as close to their in vivo structures as possible. That implies minutely analyzing the SNPs (single nucleotide polymorphisms) and WGSs (whole genome sequences) and all major motifs in-between those two extremes.