Molecular Dynamics Simulations Predict That rSNP Located in the HNF‑1α Gene Promotor Region Linked with MODY3 and Hepatocellular Carcinoma Promotes Stronger Binding of the HNF‑4α Transcription Factor.

ABSTRACT: Our study aims to investigate the impact of the Maturity-onset diabetes of the young 3 disease-linked rSNP rs35126805 located in the HNF‑1α gene promotor on the binding of the transcription factor HNF‑4α and consequently on the regulation of HNF‑1α gene expression. Our focus is to calculate the change in the binding affinity of the transcription factor HNF‑4α to the DNA, caused by the regulatory single nucleotide polymorphism (rSNP) through molecular dynamics simulations and thermodynamic analysis of acquired results. Both root-mean-square difference (RMSD) and the relative binding free energy ΔΔG_bind reveal that the HNF‑4α binds slightly more strongly to the DNA containing the mutation (rSNP) making the complex more stable/rigid, and thereby influencing the

SUBMITTER: Spaninger E 

PROVIDER: S-EPMC7767403 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature