Many researchers have studied the biosorption of different pollutants. However, a quite limited number of works focus on selectivity, which may be characterized as specific property for each biosorbent. Two main criteria need to be adopted for the selection and synthesis of modern biosorbents, such as their rebinding capacity and selectivity for only one target, molecule, ion, etc. Selective biosorption could be achieved using in synthesis an innovative technique termed molecular imprinting; the idea applied through specific polymers (Molecular Imprinted Polymers (MIPs)) was used in many fields, mainly analytical. In the present work, also isotherm and kinetic models were reviewed highlighting some crucial parameters, which possibly affect selectivity. A critical analysis of the biosorption insights for biosorbents, mostly selective, describes their characteristics, advantages and limitations, and discusses various bioengineering mechanisms involved.