Nucleosome movement analysis based on second-order information entropy and density functional theory

Abstract

Dynamics of +1 and -1 nucleosomes near TSS of yeast chromosome 2 were analyzed by using second-order information entropy and density functional theory method. Second-order information entropy can measure the interaction intensity between nucleosome sequences and nucleosome histones based on the intensity of base association. In addition, density functional theory method can be used to obtain the global interaction intensity between nucleosome sequences and nucleosome histones based on energy state size and active or non-active state of binucleoside pairs. Our results showed asymmetry of interaction intensity on both sides of the nucleosome central site, and that +1 nucleosomes tend to move toward the 5'-end and -1 nucleosomes tend to move toward the 3'-end. Under the dynamic balance of nucleosome movement, in roder to shut down gene transcription, +1 and -1 nucleosomes will cover TSS. If the dynamic balance is destroyed, +1 and -1 nucleosomes stay away from each other to expose TSS to restart gene transcription. The movement trend of +1 and -1 nucleosomes coincides with the biological mechanism of gene transcription and non-transcription, and the nucleosome sequences contain the dynamic information of nucleosome movement, which provides effective technical support for the study of gene transcription regulation mechanism.

Keywords: Density functional theory; Gene transcription regulation; Nucleosome movement; Second-order information entropy.