Aurora's design of the most successful drugs: Crixivan

One of the medicines used to treat HIV is CRIXIVAN® (Indinavir Sulfate). It's a strong medicine that helps keep HIV under control for a long time when used with other medicines. Crixivan® is a protease inhibitor used as a component of highly active antiretroviral therapy to treat HIV infection. It is marketed by Merck with sales of 500 million USD in 1997 and was among the top 10 HIV antiviral products by global sales in 2002.

CRIXIVAN® (Indinavir Sulfate)

The following figure shows superposition of crixivan calculated by Aurora's software and determined in the X-ray structure (cyan). (Docking of crixivan on 3D structure model of HIV protease).

Comparison of experimental and calculated data for the free binding energies and RMSD (Root Mean Squared Deviation) of the complex.

* PDB id is a unique 4-character code for each entry in the Protein Data Bank. The first character must be a number between 1 and 9, and the remaining three characters can be letters or numbers