Aurora's design of the most successful drugs: Viagra

Viagra (Sildenafil Citrate) is a selective inhibitor of Type 5 cGMP phosphodiesterase with utility for the treatment of male erectile dysfunction. Antihypertensive. Developed by Pfizer Viagra had sales of USD 1.7 billion in 2004.

Viagra (Sildenafil Citrate)

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

Superposition of viagra in x-ray structure and calculated by QUANTUM

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

PDB id *	Eexp,kJ/M	Ecalc,kJ/M	RMSD
1UDT	-47.9	-49.4	0.88

* 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

Search center
Please enter the data
you are looking for:

Search for:
Name
Part of Name
Molecular Formula
Product Number

To draw a molecule click
Structure search