Abstract
The structure of A-DNA with biological activity is double helix. Researches of A-DNA structure have wide application on the development of DNA drug. In aqueous solution, the structure of A-DNA will have a free transformation over time and be finally stabilized in the B-form. In this work, molecular dynamics simulations have been performed on the A-DNA with sequence of CCCGGCCGGG, to elucidate the influence of ionic valence and temperature on the structural stability of A-DNA in salt solution. The results show that the structure of A-DNA is more stable in AlCl3 solution compared with MgCl2 and NaCl solution. To further discuss the influence of ionic valency, two kinds of virtual ions (monovalent X+ and trivalent Z3+) are created based on the properties of magnesium ions. From the simulations, the stability of A-DNA structure is better in high valent cationic salt solution. This has something to do with electrostatic interaction between metal ions and DNA chains. The electrostatic interaction force is gradually improved with the increasing of ionic valency, which is conducive to the formation of more compact DNA structure. Also, in the condition of same concentration and ionc valency, low temperature has a contribution to the stability of A-DNA structure.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
