Nature of lectin carbohydrate interactions and how to treat them by computational chemistry tools
| Authors | |
|---|---|
| Year of publication | 2009 |
| Type | Article in Proceedings |
| Conference | Glycoconjugate Journal, "20th International Symposium on Glycoconjugates Glycans: From Molecules to Structures to Therapeutics, San Juan, Puerto Rico. |
| MU Faculty or unit | |
| Citation | |
| Field | Physical chemistry and theoretical chemistry |
| Keywords | lectin engineering; molecular modeling; thermodynamics |
| Description | Recognition in biological systems is often mediated through protein/carbohydrate interactions. Proteins that bind carbohydrates are called lectins. As the number of combinations that may create the saccharide code is extremely large, lectins must be very carefully designed by Nature to read and decipher such a complicated alphabet. The key role during the process of such deciphering is played by protein/carbohydrate interaction energy. The forces that keep lectin/carbohydrate complexes together are based either on polar interactions between the polar carbohydrate groups, represented especially by oxygen atoms, and polar protein functional groups. This kind of interactions may often be mediated or enlarged by bridging water molecules, or by ions. The last option usually generates strong interactions leading to stable lectin/carbohydrate complexes. |
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