In-Silico docking of HIV-1 integrase inhibitors reveals a novel drug type acting on an enzyme/DNA reaction intermediate

Andrea Savarino

Department of Infectious, Parasitic and Immune-mediated Diseases, Istituto Superiore di Sanità, Viale Regina Elena, 299 00161, Rome, Italy

author email corresponding author email

Retrovirology 2007, 4:21doi:10.1186/1742-4690-4-21


Published:	20 March 2007

Additional files

Additional file 1:

A two-metal model of HIV-1 integrase. This file contains the 3D coordinates of the two-metal model of HIV-1 integrase described in the paper. Although the extension is .txt, it complies with a .pdb format. It can thus be opened with either programs such as MS Word or 3D molecular viewers such as the Swiss-PDB Viewer.

Format: PDB Size: 90KB Download file

This file can be viewed with: MDL Chime or Swiss PDB-Viewer

Additional file 2:

L-731,988 in complex with HIV-1 integrase catalytic core domain. This file contains the 3D coordinates of diketo acid, L-731,988, as docked at the model of HIV-1 integrase core domain in Additional file 1. Its format is the same as that of Additional file 1, and can be opened in combination with it so as to obtain a full view of this compound in complex with the two-metal model of HIV-1 integrase described in the paper.

Format: TXT Size: 2KB Download file

Additional file 3:

L-731,988 in complex with HIV-1 integrase catalytic core domain. This file contains the 3D coordinates of diketo acid analogue, S-1360, as docked at the model of HIV-1 integrase core domain in Additional file 1. Format and instructions for opening are the same as for Additional file 2

Format: TXT Size: 2KB Download file

Additional file 4:

L-870,810 in complex with HIV-1 integrase catalytic core domain. This file contains the 3D coordinates of naphthyridine carboxamide, L-870,810, as docked at the model of HIV-1 integrase core domain in Additional file 1 Format and instructions for opening are the same as for Additional file 2.

Format: TXT Size: 2KB Download file

Additional file 5:

L-870,812 in complex with HIV-1 integrase catalytic core domain. This file contains the 3D coordinates of naphthyridine carboxamide, L-870,812, as docked at the model of HIV-1 integrase core domain in Additional file 1. Format and instructions for opening are the same as for Additional file 2.

Format: TXT Size: 2KB Download file

Additional file 6:

GS-9137 in complex with HIV-1 integrase catalytic core domain. This file contains the 3D coordinates of quinolone integrase inhibitor GS-9137, as docked at the model of HIV-1 integrase core domain in Additional file 1. Format and instructions for opening are the same as for Additional file 2.

Format: TXT Size: 2KB Download file