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Methods for discovering potential protein targets

Carole Taylor

Drug repurposing is a clever and inventive method for utilising already-approved and readilyaccessible medications to increase the number of therapies. It is difficult to find novel protein targets for medicines that have already received approval. Even if novel approaches to drug repurposing have been established, most experts feel that there is still potential for advancement. For medication repurposing applications, we cover protein-protein interaction (PPI) interfacetargeting techniques in this chapter. We talk about specific characteristics, such hot spot residue and hot area prediction, and their significance in medication repurposing. We also provide examples of typical PPI network techniques for identifying drug off-targets. We also gather useful web resources for polypharmacology such as binding pocket identification, interface clustering, and hot spot prediction. We conclude by offering case studies that highlight the importance of protein interfaces and hot regions in medication repurposing. Typically bioactive small compounds are coupled onto solid supports and then used to separate target proteins from the entire proteome for target protein identification. High binding affinity between bioactive small molecules and their intended protein targets is necessary for this method. Additionally, when linkers are used to alter the structural makeup of bioactive compounds, the binding affinity can be severely impeded.