Ligand-based drug design (or indirect drug design) depends on the information of diverse molecules that bind to the biological target of interest. These different molecules could also be used to obtain a pharmacophore model that defines the minimum necessary structural characteristics, a molecule should have so as to bind to the target. In alternative words, a model of the biological target could also be engineered based on the information of what binds thereto, and this model consecutively could also be accustomed to design new molecular entities that interact with the target. As an alternative, a quantitative structure-activity relationship (QSAR), during which a relationship between calculated properties of molecules and their through an experiment determined biological activity, could also be derived. These QSAR relationships sequentially could also be used to predict the activity of latest analogs. In ligand based drug design, you choose series of molecule that have revealed smart activity and run them in softwares like Sybyl 7.1, here you may get the groups such as hydrophobic, stearic and hydrophillic groups that are responsible for action.So in this case you come to know which cluster provides activity and which reduces the activity.
Last date updated on June, 2014