|
Type |
Poster Presentation |
Area |
물리화학 |
Room No. |
포스터발표장 |
Time |
4월 20일 (목요일) 11:00~12:30 |
Code |
PHYS.P-51 |
Subject |
Water and Ion Effects on the Stability of Human Telomeric DNA G-quadruplexes by Molecular Dynamics Simulations and Solvation Thermodynamics Analyses |
Authors |
이진경, 함시현* 숙명여자대학교 화학과, Korea |
Abstract |
Specific guanine-rich regions in DNA called G-quadruplexes, which are of recent biological interest since they are considered as potential anticancer drug targets. While several different topologies (parallel propeller, antiparallel basket, mixed-hybrid 1 and mixed-hybrid 2) of Human telomeric G-quadruplexes depend on environmental factors, the relative stability of those structures remains elusive. Here we investigate the molecular origin on the stability of Human telomeric G-quadruplexes to know the conformational preference, with molecular dynamics simulations. The effect of ions (Na+, K+) upon complexation in water is also quantified by the solvation free energy calculations based on the integral-equation theory. Thereby, we discuss the conformational preference and the effect of solution upon Human telomeric G-quadruplexes. |
E-mail |
beautyljk@naver.com |
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