Use of Computational (in silico) methods are widely applied in drug discovery. In drug discovery process, identification of the suitable drug target is the first and foremost task. These targets are biomolecules which mainly include DNA, RNA and proteins (such as receptors, transporters, enzymes and ion channels). Validation of such targets is necessary to exhibit a sufficient level of 'confidence' and to know their pharmacological relevance to the disease under investigation. The aim of this mini-review is to illustrate some of the in silico methods that are used in drug discovery, and to describe the applications of these computational methods.