In-Silico Drug Discovery

In silico biology as a fast-evolving branch has a lot to offer in the field of identification of drugs as inhibitorsby increasing productivity at many stages of the drug discovery pipeline. We at Novel Techsciences staunchly believe in the principles of Nature to Nurture. The major area that we currently focus on is identification of phytochemicals having therapeutic potential as drug leads. One tool of computational biology that we explore is molecular docking by rational screening. It is an approach that seeks to screen in silico,a large library of phytochemicals.

We have already developed one such database which is continuously updated by a dedicated team. Secondly, we screen the phytochemical database based on their Absorption, distribution, metabolism, excretion (ADME) and toxicity profiles.

We also have expertise in molecular dynamics simulation techniques required for predicting the drug-protein interaction and stability over a period of time. Another area that we focus on is identification of novel allosteric binding sites of these phytochemicals. Principal advantage of allosteric drugs lies in their higher specificities and thus lower risks of toxic side effects. We also use computational methods of phylogeny and evolutionary conservation of amino acid residues to predict whether the drug binding sites are mutable. If so we use our expertise to search for evolutionary conserved sites for drug development. Our team also excels in the area of fragment based drug designing. This involves identification of fragments that have weak binding affinity to the target of interest. The fragments forming high quality interactions are optimized to lead compounds ensuring high selectivity and affinity. We not only believe in developing drug leads for a particular disease target, but we have developed expertise in mapping the entire pathway of the disease by contact mapping of various important pathways required for our survival. This way we discover novel drug targets and utilize them for drug development.

We at Novel Techsciences are using cutting edge software, tools and novel pipelines to produce robust and reliable data to develop a fast approach to drug discovery.

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