Computational investigations on target-site searching and recognition mechanisms by thymine DNA glycosylase during DNA repair process.

ABSTRACT: DNA glycosylase, as one member of DNA repair machineries, plays an essential role in correcting mismatched/damaged DNA nucleotides by cleaving the N-glycosidic bond between the sugar and target nucleobase through the base excision repair (BER) pathways. Efficient corrections of these DNA lesions are critical for maintaining genome integrity and preventing premature aging and cancers. The target-site searching/recognition mechanisms and the subsequent conformational dynamics of DNA glycosylase, however, remain challenging to be characterized using experimental techniques. In this review, we summarize our recent studies of sequential structural changes of thymine DNA glycosylase (TDG) during the DNA repair process, achieved mostly by molecular dynamics (MD) simulations. Computational simulat

SUBMITTER: Wang L 

PROVIDER: S-EPMC9828053 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature