Simulation of Adenosine Receptor A2b Subtype and Molecules of Activators and Inhibitors Interaction in Silico

Kód výsledku v IS VaVaI

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Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Simulation of Adenosine Receptor A2b Subtype and Molecules of Activators and Inhibitors Interaction in Silico

Popis výsledku v původním jazyce

The research's aim was to create computer models of A2B subtype of adenosine receptor, and also its activators and inhibitors; using these models to analyze special features of interaction between A2B subtype of adenosine receptor molecule and moleculesof different activators and inhibitors in silico. The modeling of ligand-receptor interaction was made on the supercomputer SKIF Cyberia using AutoDock 4.0 as the part of MGL Tools 1.4.5. In this research work, realized on the unique A2B adenosine receptor computer model, it was shown, that both activators and inhibitors produce the hydrogen bindings with different amino acids as a result of interaction between them and A2B adenosine receptor. The current investigation detected the amino acids, playingthe main part in activation A2B subtype of adenosine receptor. To make final decision about the role of aforesaid acids in receptor activation it is needed to implement the test with A2B subtype of adenosine receptor in vitro.

Název v anglickém jazyce

Simulation of Adenosine Receptor A2b Subtype and Molecules of Activators and Inhibitors Interaction in Silico

Popis výsledku anglicky

The research's aim was to create computer models of A2B subtype of adenosine receptor, and also its activators and inhibitors; using these models to analyze special features of interaction between A2B subtype of adenosine receptor molecule and moleculesof different activators and inhibitors in silico. The modeling of ligand-receptor interaction was made on the supercomputer SKIF Cyberia using AutoDock 4.0 as the part of MGL Tools 1.4.5. In this research work, realized on the unique A2B adenosine receptor computer model, it was shown, that both activators and inhibitors produce the hydrogen bindings with different amino acids as a result of interaction between them and A2B adenosine receptor. The current investigation detected the amino acids, playingthe main part in activation A2B subtype of adenosine receptor. To make final decision about the role of aforesaid acids in receptor activation it is needed to implement the test with A2B subtype of adenosine receptor in vitro.

Druh

D - Stať ve sborníku

CEP obor

IN - Informatika

OECD FORD obor

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Projekt

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Návaznosti

V - Vyzkumna aktivita podporovana z jinych verejnych zdroju

Rok uplatnění

2011

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název statě ve sborníku

Proceedings of the Young Biomedical Engineers and Researchers Conference

ISBN

978-80-553-0596-7

ISSN

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e-ISSN

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Počet stran výsledku

4

Strana od-do

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Název nakladatele

Technical University of Košice

Místo vydání

Košice

Místo konání akce

Košice

Datum konání akce

1. 7. 2010

Typ akce podle státní příslušnosti

WRD - Celosvětová akce

Kód UT WoS článku

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