How Biological Models Interact with Water

A recent study looks at the development of a sophisticated geometric model that may predict how biological molecules will interact with water molecules by computing results up to 20 times faster than previous approaches. Researchers believe that this could help them find new drugs to treat various diseases, as well.

"Our research explores how water can change the shape of a molecule, how different molecules can get along well in water and, ultimately, how drug molecules can hit targets with the help of water," Bo Li, the professor of mathematics and a senior scientist of the National Science Foundation Center for Theoretical Biological Physics, University of California, San Diego said, via a press release.

Researchers discuss how these biological molecules-including DNA and proteins-become the building blocks of living systems.

"How these molecules self-organize is crucial to maintaining a healthy system, because a missing or deformed atom within a molecule can lead to disease," Li said. "Many biological molecules are hydrophobic (water repelling) , just like a drop of oil in a water, but when mixed they will eventually blend together."

The study notes that the human body contains numerous biological molecules that are surrounded by water and cah help change the shape and interaction of different molecules in the body. In fact, up to 60 percent of the human body is water!

By being able to quickly predict the structure of biological molecules found in water, researchers believe they can improve the ability to identify new darts and reduce the need for expensive screenings conducted for millions of drugs.

More information regarding the study can be found via the Journal of Chemical Physics.