title: Differences in the Access of Lesions to the Nucleotide Excision Repair Machinery in Nucleosomes.
abstract: In nucleosomes, the access of DNA lesions to nucleotide excision repair is hindered by histone proteins. However, evidence that the nature of the DNA lesions may play a role in facilitating access is emerging, but these phenomena are not well-understood. We have used molecular dynamics simulations to elucidate the structural, dynamic, and energetic properties of the R and S 5'-8-cyclo-2'-dG and the (+)-cis-anti-B[a]P-dG lesions in a nucleosome. Our results show that the (+)-cis-anti-B[a]P-dG adduct is more dynamic and more destabilizing than the smaller and more constrained 5',8-cyclo-2'-dG lesions, suggesting more facile access to the more bulky (+)-cis-anti-B[a]P-dG lesion.
authors.forename: Yuqin
authors.initials: Y
authors.lastname: Cai
authors.forename: Konstantin
authors.initials: K
authors.lastname: Kropachev
authors.affiliation: §Istituto per la Sintesi Organica e la Fotoreattività, Consiglio Nazionale delle Ricerche, Bologna, 40129, Italy.
authors.forename: Michael A
authors.initials: MA
authors.lastname: Terzidis
authors.affiliation: §Istituto per la Sintesi Organica e la Fotoreattività, Consiglio Nazionale delle Ricerche, Bologna, 40129, Italy.
authors.forename: Annalisa
authors.initials: A
authors.lastname: Masi
authors.affiliation: §Istituto per la Sintesi Organica e la Fotoreattività, Consiglio Nazionale delle Ricerche, Bologna, 40129, Italy.|∥Institute of Nanoscience and Nanotechnology, National Center for Scientific Research Demokritos, 15341 Agia, Paraskevi, Athens, Greece.
authors.forename: Chryssostomos
authors.initials: C
authors.lastname: Chatgilialoglu
authors.forename: Vladimir
authors.initials: V
authors.lastname: Shafirovich
authors.forename: Nicholas E
authors.initials: NE
authors.lastname: Geacintov
authors.forename: Suse
authors.initials: S
authors.lastname: Broyde
mesh_terms: D004247:DNA / Q000737:chemistry; D018736:DNA Adducts / Q000737:chemistry; D004260:DNA Repair; D056004:Molecular Dynamics Simulation; D019906:Nuclear Magnetic Resonance, Biomolecular; D009690:Nucleic Acid Conformation; D009707:Nucleosomes / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: D018736:DNA Adducts; D009707:Nucleosomes; D004247:DNA