Mankind’s fight against cancer has been long and arduous. Although we have made significant strides towards improving treatment techniques, we are still far from reaching an ideal scenario. Therefore, to help us make further, longer reaching strides in our war against this dangerous disease, researchers from Purdue University have employed a software based approach that could help quickly uncover important details required to better treat cancer. Let us take a look at this a little more in detail.

Scientists have basically been looking for ways to target specific sites on proteins in the body so as to optimize drug delivery. And in order to achieve this, researchers from the Purdue University laboratory of Carol Post set out to find an answer for this through digital means. This led them to develop a software called NmrLineGuru, an application that was designed to help scientists better study information about proteins that are linked to dangerous diseases and ultimately help in the drug delivery process. 

When it comes to the growth of cancer cells, proteins play a vital role in stimulating molecules that are responsible for the growth of tumors. And now, with the help of NmrLineGuru, doctors can create simulated models to observe how certain proteins bind with other molecules in the body. This is made possible thanks to the software’s ability to produce fast 1d nuclear magnetic resonance lineshape simulations and analyse them using multistate equilibrium binding models. 

The supported equilibrium models include the most commonly used methods in the drug discovery industry. These are the two, three and four state binding models. With such a variety of options available, the software makes it easier for the doctors to study the interactions between the proteins involved in a disease and the associated molecules that bind to them. Moreover, the software efficiently factors in all the information provided by the user and creates the most suitable model giving them accurate information about such protein interactions. 

This revolutionary new application could potentially change the course of cancer treatment for the better. This is almost a certainty as the researchers are individuals who have a deep understanding of the requirements of the drug delivery domain. With their vast expertise and keenness to develop faster and better solutions for improved healthcare services, there is no doubt that the software will continue to grow over time and hopefully help more people all over the world.