Computational studies of DNA base repair mechanisms by nonheme iron dioxygenases: selective epoxidation and hydroxylation pathways-Reference-Cited by-同舟云学术

Computational studies of DNA base repair mechanisms by nonheme iron dioxygenases: selective epoxidation and hydroxylation pathways

Published:2020 Issue:14 Volume:49 Page:4266-4276
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Latifi Reza¹²³⁴^ORCID,Minnick Jennifer L.¹²³⁴,Quesne Matthew G.⁵⁶⁷⁸⁹^ORCID,de Visser Sam P.¹⁰¹¹⁸^ORCID,Tahsini Laleh¹²³⁴^ORCID

Affiliation:

1. Department of Chemistry

2. Oklahoma State University

3. Stillwater

4. USA

5. Cardiff University

6. School of Chemistry

7. Cardiff

8. UK

9. Research Complex at Harwell

10. Manchester Institute of Biotechnology and Department of Chemical Engineering and Analytical Science

11. Manchester M1 7DN

Abstract

A detailed QM/MM and DFT study into the structure and reactivity of AlkB repair enzymes with alkylated DNA bases is reported. In particular, we investigate the aliphatic hydroxylation and CC epoxidation mechanisms of the enzymes by a high-valent iron(iv)–oxo intermediate.

Funder

Oklahoma State University

Center for Hierarchical Manufacturing, National Science Foundation

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/DT/D0DT00007H

Reference83 articles.

1. Multifaceted Roles of Alkyltransferase and Related Proteins in DNA Repair, DNA Damage, Resistance to Chemotherapy, and Research Tools