Drug Designing Approaches Using In-Silico Techniques

In-silico drug designing has become an important trend for some good reasons- first it cuts down drug designing lag time to a great extent and second it saves a significant sum of money invested for the process. Docking macromolecules to small ligands constitutes the central theme of this process and this in many ways is analogous to the conventional target based drug designing concept. However, unlike cell based therapy it is only limited to specific targets which are in most case protein molecules. Here, in this manuscript two studies of docking have been elucidated. Two small molecules, sissotrin and silibin, have been bound exhaustively to many shortlisted targets of them and screened for maximum score values to hypothesize one potential target macromolecule. PDGFR, ALOX5 and IGFBP3 are the the found targets from the research works. The small molecules taken here are found in traditional sources such as herbal plants. Therefore outcomes from this research is expected to underpin importance of these natural resources that are regaining prominence worldwide for their drug activity. Nonetheless, these studies have to further be validated in-vitro for concrete proof in the future.