Effect O6-Guanine Alkylation on DNA Flexibility Studied by Comparative Molecular Dynamics Simulations

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F15%3A10297539" target="_blank" >RIV/00216208:11310/15:10297539 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61388963:_____/15:00443118

Výsledek na webu

<a href="http://dx.doi.org/10.1002/bip.22535" target="_blank" >http://dx.doi.org/10.1002/bip.22535</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/bip.22535" target="_blank" >10.1002/bip.22535</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Effect O6-Guanine Alkylation on DNA Flexibility Studied by Comparative Molecular Dynamics Simulations

Popis výsledku v původním jazyce

Alkylation of guanine at the O6 atom is a highly mutagenic DNA lesion because it alters the coding specificity of the base causing G:C to A:T transversion mutations. Specific DNA repair enzymes, e.g. O-6-alkylguanin-DNA-Transferases (AGT), recognize andrepair such damage after looping out the damaged base to transfer it into the enzyme active site. The exact mechanism how the repair enzyme identifies a damaged site within a large surplus of undamaged DNA is not fully understood. The O-6-alkylation of guanine may change the deformability of DNA which may facilitate the initial binding of a repair enzyme at the damaged site. In order to characterize the effect of O-6-methyl-guanine (O-6-MeG) containing base pairs on the DNA deformability extensive comparative molecular dynamics (MD) simulations on duplex DNA with central G:C, O-6-MeG:C or O-6-MeG:T base pairs were performed. The simulations indicate significant differences in the helical deformability due to the presence of O-6-MeG comp

Název v anglickém jazyce

Effect O6-Guanine Alkylation on DNA Flexibility Studied by Comparative Molecular Dynamics Simulations

Popis výsledku anglicky

Alkylation of guanine at the O6 atom is a highly mutagenic DNA lesion because it alters the coding specificity of the base causing G:C to A:T transversion mutations. Specific DNA repair enzymes, e.g. O-6-alkylguanin-DNA-Transferases (AGT), recognize andrepair such damage after looping out the damaged base to transfer it into the enzyme active site. The exact mechanism how the repair enzyme identifies a damaged site within a large surplus of undamaged DNA is not fully understood. The O-6-alkylation of guanine may change the deformability of DNA which may facilitate the initial binding of a repair enzyme at the damaged site. In order to characterize the effect of O-6-methyl-guanine (O-6-MeG) containing base pairs on the DNA deformability extensive comparative molecular dynamics (MD) simulations on duplex DNA with central G:C, O-6-MeG:C or O-6-MeG:T base pairs were performed. The simulations indicate significant differences in the helical deformability due to the presence of O-6-MeG comp

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BO - Biofyzika

OECD FORD obor

—

Projekt

<a href="/cs/project/GA14-21893S" target="_blank" >GA14-21893S: Nanomechanika strukturních motivů RNA a DNA</a><br>

Návaznosti

S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2015

Kód důvěrnosti údajů

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

Název periodika

Biopolymers

ISSN

0006-3525

e-ISSN

—

Svazek periodika

103

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

23-32

Kód UT WoS článku

000344466700003

EID výsledku v databázi Scopus

2-s2.0-84927136239