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 language | English |
|---|---|
| Pages (from-to) | 231-243 |
| Number of pages | 13 |
| Journal | Computational and Mathematical Methods in Medicine |
| Volume | 9 |
| Issue number | 3-4 |
| DOIs | |
| Publication status | Published - Sep 2008 |
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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 journal › Article
}
TY - JOUR
T1 - HIV-1 integrase-DNA interactions investigated by molecular modelling
AU - Fenollar-Ferrer, C.
AU - Carnevale, V.
AU - Raugei, Simone
AU - Carloni, P.
PY - 2008/9
Y1 - 2008/9
N2 - 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.
AB - 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.
KW - HIV-1 integrase
KW - Molecular dynamics
KW - Molecular modelling
KW - Protein-DNA interactions
KW - Synaptic complex
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U2 - 10.1080/17486700802167918
DO - 10.1080/17486700802167918
M3 - Article
VL - 9
SP - 231
EP - 243
JO - Computational and Mathematical Methods in Medicine
JF - Computational and Mathematical Methods in Medicine
SN - 1748-670X
IS - 3-4
ER -