HIV-1 integrase-DNA interactions investigated by molecular modelling

C. Fenollar-Ferrer, V. Carnevale, Simone Raugei, P. Carloni

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

HIV-1 integrase is the viral enzyme responsible for the insertion of the viral DNA into the host cell chromosome. This process occurs through two distinct biochemical reactions: the 3′-processing of the viral DNA and the transesterification reaction. Because experimental structural information on the reaction intermediate is not available, several molecular models have been developed. Unfortunately, none of the models of the enzyme-substrate complex is fully consistent with the available molecular biological data. We have constructed a new theoretical model based on mutagenesis experiments and cross-linking data, using a relatively accurate computational setup. The structural features of the model along with its limitations are discussed here.

Original languageEnglish
Pages (from-to)231-243
Number of pages13
JournalComputational and Mathematical Methods in Medicine
Volume9
Issue number3-4
DOIs
Publication statusPublished - Sep 2008

Fingerprint

Molecular Modeling
Molecular modeling
Viral DNA
DNA
Molecular Models
Structural Models
Enzymes
Interaction
Mutagenesis
Theoretical Models
Chromosomes
Reaction intermediates
Theoretical Model
Linking
Chromosome
Insertion
Transesterification
Substrate
Model
Model-based

Keywords

  • HIV-1 integrase
  • Molecular dynamics
  • Molecular modelling
  • Protein-DNA interactions
  • Synaptic complex

ASJC Scopus subject areas

  • Applied Mathematics
  • Medicine(all)
  • Modelling and Simulation

Cite this

HIV-1 integrase-DNA interactions investigated by molecular modelling. / Fenollar-Ferrer, C.; Carnevale, V.; Raugei, Simone; Carloni, P.

In: Computational and Mathematical Methods in Medicine, Vol. 9, No. 3-4, 09.2008, p. 231-243.

Research output: Contribution to journalArticle

Fenollar-Ferrer, C. ; Carnevale, V. ; Raugei, Simone ; Carloni, P. / HIV-1 integrase-DNA interactions investigated by molecular modelling. In: Computational and Mathematical Methods in Medicine. 2008 ; Vol. 9, No. 3-4. pp. 231-243.
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