Insights into the mechanism of oxidation of dihydroorotate to orotate catalysed by human class 2 dihydroorotate dehydrogenase: a QM/MM free energy study-Reference-Cited by-同舟云学术

Insights into the mechanism of oxidation of dihydroorotate to orotate catalysed by human class 2 dihydroorotate dehydrogenase: a QM/MM free energy study

Published:2015 Issue:27 Volume:17 Page:17790-17796
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Alves Cláudio Nahum¹²³⁴⁵,Silva José Rogério A.¹²³⁴⁵,Roitberg Adrian E.⁶⁷⁸⁹

Affiliation:

1. Laboratório de Planejamento e Desenvolvimento de Fármacos

2. Instituto de Ciências Exatas e Naturais

3. Universidade Federal do Pará

4. Belém

5. Brazil

6. Department of Chemistry

7. University of Florida

8. Gainesville

9. USA

Abstract

The catalytic mechanism of oxidation of DHO to OA in the human DHOD enzyme is described by QM/MM and PMF calculations.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP02016F

Reference63 articles.

1. Active Site of Dihydroorotate Dehydrogenase A from Lactococcus lactis Investigated by Chemical Modification and Mutagenesis

2. The crystal structure oflactococcus lactisdihydroorotate dehydrogenase A complexed with the enzyme reaction product throws light on its enzymatic function

3. Cyclic modulation of enzymes of pyrimidine nucleotide biosynthesis precedes sialoglycoconjugate changes during 2-acetylaminofluorene-induced hepatocarcinogenesis in the rat

4. Leflunomide: mode of action in the treatment of rheumatoid arthritis

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