Nature of lectin carbohydrate interactions and how to treat
them by computational chemistry tools

D 2009

Nature of lectin carbohydrate interactions and how to treat them by computational chemistry tools

MISHRA, Sushil Kumar, Jan ADAM, Zdeněk KŘÍŽ, Michaela WIMMEROVÁ, Jaroslav KOČA et. al.

Basic information

Original name

Nature of lectin carbohydrate interactions and how to treat them by computational chemistry tools

Name in Czech

Povaha lektin sacharidových interakcí a jejich zkoumání pomocí výpočetní chemie

Authors

MISHRA, Sushil Kumar, Jan ADAM, Zdeněk KŘÍŽ, Michaela WIMMEROVÁ and Jaroslav KOČA

Edition

Netherlands, Glycoconjugate Journal, "20th International Symposium on Glycoconjugates Glycans: From Molecules to Structures to Therapeutics, San Juan, Puerto Rico. p. 875-876, 1 pp. 2009

Publisher

Springer

Other information

Language

English

Type of outcome

Stať ve sborníku

Field of Study

10403 Physical chemistry

Country of publisher

Czech Republic

Confidentiality degree

není předmětem státního či obchodního tajemství

Impact factor

Impact factor: 2.500

Organization unit

Faculty of Science

ISSN

Keywords (in Czech)

lectin engineering; molecular modeling; thermodynamics

Keywords in English

lectin engineering; molecular modeling; thermodynamics

Změněno: 8/4/2010 13:56, Ing. et Ing. Jan Adam, Ph.D.

Abstract

ORIG CZ

V originále

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.

In Czech

Prace se zabyva povahou lektin-sacharidovycm interakci v ruznych zkoumanych systemech, rozdilem povahy elektrostatickych polarnich versus hydrofobnich interakci, a zpusoby, jakymi je mozno k temto interakcim pristupovat z pohledu molekuloveho modelovani.

Links

LC06030, research and development project

Name: Biomolekulární centrum

Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular centre

Citovat

MISHRA, Sushil Kumar, Jan ADAM, Zdeněk KŘÍŽ, Michaela WIMMEROVÁ and Jaroslav KOČA. Nature of lectin carbohydrate interactions and how to treat them by computational chemistry tools. In Glycoconjugate Journal, "20th International Symposium on Glycoconjugates Glycans: From Molecules to Structures to Therapeutics, San Juan, Puerto Rico. Netherlands: Springer, 2009, p. 875-876, 1 pp. ISSN 0282-0080.

@inproceedings{863898,
   author = {Mishra, Sushil Kumar and Adam, Jan and Kříž, Zdeněk and Wimmerová, Michaela and Koča, Jaroslav},
   address = {Netherlands},
   booktitle = {Glycoconjugate Journal, "20th International Symposium on Glycoconjugates Glycans: From Molecules to Structures to Therapeutics, San Juan, Puerto Rico.},
   keywords = {lectin engineering; molecular modeling; thermodynamics},
   language = {eng},
   location = {Netherlands},
   pages = {875-876},
   publisher = {Springer},
   title = {Nature of lectin carbohydrate interactions and how to treat them by computational chemistry tools},
   year = {2009}
}

TY  - JOUR
ID  - 863898
AU  - Mishra, Sushil Kumar - Adam, Jan - Kříž, Zdeněk - Wimmerová, Michaela - Koča, Jaroslav
PY  - 2009
TI  - Nature of lectin carbohydrate interactions and how to treat them by computational chemistry tools
PB  - Springer
CY  - Netherlands
KW  - lectin engineering
KW  - molecular modeling
KW  - thermodynamics
N2  - 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.
ER  -

MISHRA, Sushil Kumar, Jan ADAM, Zdeněk KŘÍŽ, Michaela WIMMEROVÁ and Jaroslav KOČA. Nature of lectin carbohydrate interactions and how to treat them by computational chemistry tools. In \textit{Glycoconjugate Journal, ''20th International Symposium on Glycoconjugates Glycans: From Molecules to Structures to Therapeutics, San Juan, Puerto Rico.}. Netherlands: Springer, 2009, p.~875-876, 1 pp. ISSN~0282-0080.

Detailed Information on Publication Record