Proteins and Their Interactions With Small Molecules Studied by
Computer Simulations.

D 2002

Proteins and Their Interactions With Small Molecules Studied by Computer Simulations.

OTYEPKA, Michal, Miroslav STRNAD, Jiří DAMBORSKÝ, Zdeněk KŘÍŽ, Jaroslav KOČA et. al.

Basic information

Original name

Proteins and Their Interactions With Small Molecules Studied by Computer Simulations.

Authors

OTYEPKA, Michal (203 Czech Republic, guarantor), Miroslav STRNAD (203 Czech Republic), Jiří DAMBORSKÝ (203 Czech Republic), Zdeněk KŘÍŽ (203 Czech Republic) and Jaroslav KOČA (203 Czech Republic)

Edition

Praha, Materials Structures in Chemistry, Biology, Physics and Technology, p. 45-46, 2 pp. 2002

Publisher

1. setkani ceskych a slovenskych strukturnich biologu

Other information

Language

English

Type of outcome

Stať ve sborníku

Field of Study

10610 Biophysics

Country of publisher

Czech Republic

Confidentiality degree

není předmětem státního či obchodního tajemství

RIV identification code

RIV/00216224:14310/02:00007233

Organization unit

Faculty of Science

Keywords in English

Computer Simulation; Protein; Ligand

Abstract

V originále

The presentation introduce an on-going research project focused on proteins and their interactions with small molecules. Two systems are studied by computer simulations; (1) cyclin-dependent kinase-2 (cdk2) and its inhibition by purine-like compounds, and (2) haloalkane dehalogenases. Cyclin-dependent kinases are enzymes controlling the cell division cycle. A deregulation of cdk has been proved to occur in human primary tumors and in tumor cell lines. It evoked potential application of cdk inhibitors in cancer therapy. Haloalkane dehalogenases are bacterial enzymes cleaving the carbon-halogen bond of the halogenated aliphatic compounds by a hydrolytic mechanism. These enzymes have a potential application in detoxification of subsurface pullutants and recovery of industrial side products.

Links

MSM 143100005, plan (intention)

Name: Strukturně-funkční vztahy biomolekul a jejich role v metabolismu

Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular Structure-function Relationships and their role in the Metabolism

Citovat

OTYEPKA, Michal, Miroslav STRNAD, Jiří DAMBORSKÝ, Zdeněk KŘÍŽ and Jaroslav KOČA. Proteins and Their Interactions With Small Molecules Studied by Computer Simulations. In Materials Structures in Chemistry, Biology, Physics and Technology. Praha: 1. setkani ceskych a slovenskych strukturnich biologu, 2002, p. 45-46.

@inproceedings{483320,
   author = {Otyepka, Michal and Strnad, Miroslav and Damborský, Jiří and Kříž, Zdeněk and Koča, Jaroslav},
   address = {Praha},
   booktitle = {Materials Structures in Chemistry, Biology, Physics and Technology},
   keywords = {Computer Simulation; Protein; Ligand},
   language = {eng},
   location = {Praha},
   pages = {45-46},
   publisher = {1. setkani ceskych a slovenskych strukturnich biologu},
   title = {Proteins and Their Interactions With Small Molecules Studied by Computer Simulations.},
   year = {2002}
}

TY  - JOUR
ID  - 483320
AU  - Otyepka, Michal - Strnad, Miroslav - Damborský, Jiří - Kříž, Zdeněk - Koča, Jaroslav
PY  - 2002
TI  - Proteins and Their Interactions With Small Molecules Studied by Computer Simulations.
PB  - 1. setkani ceskych a slovenskych strukturnich biologu
CY  - Praha
KW  - Computer Simulation
KW  - Protein
KW  - Ligand
N2  - The presentation introduce an on-going research project focused on proteins and their interactions with small molecules. Two systems are studied by computer simulations; (1) cyclin-dependent kinase-2 (cdk2) and its inhibition by purine-like compounds, and (2) haloalkane dehalogenases. Cyclin-dependent kinases are enzymes controlling the cell division cycle. A deregulation of cdk has been proved to occur in human primary tumors and in tumor cell lines. It evoked potential application of cdk inhibitors in cancer therapy. Haloalkane dehalogenases are bacterial enzymes cleaving the carbon-halogen bond of the halogenated aliphatic compounds by a hydrolytic mechanism. These enzymes have a potential application in detoxification of subsurface pullutants and recovery of industrial side products.
ER  -

OTYEPKA, Michal, Miroslav STRNAD, Jiří DAMBORSKÝ, Zdeněk KŘÍŽ and Jaroslav KOČA. Proteins and Their Interactions With Small Molecules Studied by Computer Simulations. In \textit{Materials Structures in Chemistry, Biology, Physics and Technology}. Praha: 1. setkani ceskych a slovenskych strukturnich biologu, 2002, p.~45-46.

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