Chapter 8: Computational analysis on the effect of mutations for the binding affinity of protein–carbohydrate complexes

Carbohydrates are known as sugars or saccharides, which range from simple sugars (glucose) to complex polysaccharides (cellulose). Proteins that interact with carbohydrates are called carbohydrate-binding proteins, and the interaction between proteins and carbohydrates is important for several biological processes, such as cell–cell adhesion, immune response, pathogen recognition, and enzyme catalysis. Mutations in these proteins may impact their structure, binding affinity and function, and understanding the mutational effects on protein–carbohydrate interactions is essential for elucidating their molecular mechanisms. In this chapter, we provide a comprehensive overview of (i) databases available for binding affinity of protein–carbohydrate complexes and their mutants, (ii) analysis and prediction of mutational effects on binding affinity of protein–carbohydrate complexes, (iii) effects of mutation at the interaction sites based on diseases, and (iv) potential applications. The information provided in this chapter will provide insights to understand mutational effects on binding affinity and disease-causing mutations in protein–carbohydrate complexes and design therapeutic strategies.