University School of Biotechnology, GGSIP University, Dwarka Sec 16C, New Delhi, India.
Bioinformatics tools can help us to understand the computational design principles of drugs based on the structural knowledge of their target. It is possible to find a drug effective against a disease protein. The method combines high throughput screening to find the activity against a target. Furthermore we can predict vast number of natural ligands and analogues to identify hits on compound. Calculation of docking score into the site of target protein would help to evaluate the optimization of ligand orientation and conformation; also calculation of its affinity as compared to other docked and undocked compounds. Read more…