**3.4 Molecular docking**

It is a structure-based computational strategy to predict binding site complementarily between the drug and the target [57]. It might involve conventional way wherein in [19] multiple molecules are tested against that particular target which is been already identified. Conversely, drug libraries could be explored against an array of target receptors (inverse docking: several targets, and one ligand) to identify novel interactions that can be taken forward for repurposing. This approach was used by *Dakshanamurthy and colleagues* [58] on 3671 FDAapproved drugs across 2335 human protein crystal structures to repurpose mebendazole, an antiparasitic drug, to inhibit vascular endothelial growth factor receptor 2 (VEGFR2), a mediator of angiogenesis. This approach has certain pitfalls, like unavailability of protein 3D structures [59].
