Influence of Mg2+ ions on the interaction between 3,5-dicaffeoylquinic acid and HTLV-I integrase

Influence of Mg2+ ions on the interaction between 3,5-dicaffeoylquinic acid and HTLV-I integrase

Using molecular simulation, we studied the influence of Mg2+ ions on the binding mode of HTLV-I Integrase (IN) catalyticdomain (modeled by homology) with the 3,5- Dicaffeoylquinic Acid (DCQA). HTLV-I Integrase homology model was built usingtemplate-like crystallographic data of the IN catalytic doma...

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Bibliographic Details
Main Authors: Orlando Acevedo, Yesid Cuesta-Astroz, Juvenal Yosa Reyes, Ángela Peña, Jesús Felipe García-Vallejo
Format: Article
Language:English
Published: Pontificia Universidad Javeriana 2012-04-01
Series:Universitas Scientiarum
Subjects:
3
5 -Dicaffeoylquinic Acid
Human T-Lymphotropic Type I (HTLV-1)
Integrase (IN)
Homology Model
Molecular Docking
Binding Free Energy
Mg2+ Ions.
Online Access:http://revistas.javeriana.edu.co/index.php/scientarium/article/view/2477/1756
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http://revistas.javeriana.edu.co/index.php/scientarium/article/view/2477/1756

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